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Glycoborinine

PubChem CID: 10446329

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Compound Synonyms glycoborinine, 233279-39-5, 3,3,10-Trimethyl-7H-pyrano[3,2-g]carbazol-9-ol, 3,3,10-trimethyl-7H-pyrano(3,2-g)carbazol-9-ol, CHEMBL506671, HY-N8361, IJA27939, AKOS040758770, CS-0143565
Topological Polar Surface Area 45.3
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 21.0
Isotope Atom Count 0.0
Molecular Complexity 446.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-9-ol
Prediction Hob 1.0
Xlogp 4.3
Molecular Formula C18H17NO2
Prediction Swissadme 0.0
Inchi Key KGHHJTRYOSFBOZ-UHFFFAOYSA-N
Fcsp3 0.2222222222222222
Logs -3.749
Rotatable Bond Count 0.0
Logd 4.134
Compound Name Glycoborinine
Prediction Hob Swissadme 0.0
Exact Mass 279.126
Formal Charge 0.0
Monoisotopic Mass 279.126
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 279.3
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -4.7515970380952375
Inchi InChI=1S/C18H17NO2/c1-10-8-12-14(9-15(10)20)19-13-4-5-16-11(17(12)13)6-7-18(2,3)21-16/h4-9,19-20H,1-3H3
Smiles CC1=CC2=C(C=C1O)NC3=C2C4=C(C=C3)OC(C=C4)(C)C
Nring 4.0
Defined Bond Stereocenter Count 0.0