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(+)-Nerolidol

PubChem CID: 70702

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Compound Synonyms (+)-Nerolidol, (S)-(+)-Nerolidol, DB-247035, 3,7,11-trimethyl-dodeca-1,6,10-trien-3-ol
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 20.2
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Np Classifier Class Acyclic monoterpenoids, Farnesane sesquiterpenoids
Deep Smiles C=C[C@]CCC=CCCC=CC)C)))))C)))))O)C
Heavy Atom Count 16.0
Classyfire Class Prenol lipids
Classyfire Subclass Sesquiterpenoids
Isotope Atom Count 0.0
Molecular Complexity 269.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Iupac Name (3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 4.6
Gsk 4 400 Rule False
Molecular Formula C15H26O
Prediction Swissadme 1.0
Inchi Key FQTLCLSUCSAZDY-OAHLLOKOSA-N
Silicos It Class Soluble
Fcsp3 0.6
Logs -4.109
Rotatable Bond Count 7.0
Logd 3.907
Synonyms (+)(s)-nerolidol
Esol Class Soluble
Functional Groups C=CC, CC=C(C)C, CO
Compound Name (+)-Nerolidol
Prediction Hob Swissadme 1.0
Exact Mass 222.198
Formal Charge 0.0
Monoisotopic Mass 222.198
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 222.37
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 1.0
Lipinski Rule Of 5 True
Esol -3.7996063999999996
Inchi InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/t15-/m1/s1
Smiles CC(=CCCC(=CCC[C@@](C)(C=C)O)C)C
Nring 0.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Sesquiterpenoids, Monoterpenoids

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