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Lopac-I-3766

PubChem CID: 6603886

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Compound Synonyms Lopac-I-3766, CHEMBL1395334, NCGC00015556-01
Topological Polar Surface Area 77.8
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 19.0
Isotope Atom Count 0.0
Molecular Complexity 331.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P19838, Q27686, P08659, P33261, P14618, P16050, P28482, P40225, P04637, Q99714, P08684, P10635, P11712, P05177
Iupac Name (Z)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Prediction Hob 1.0
Target Id NPT163, NPT213, NPT52, NPT792, NPT282, NPT96, NPT539, NPT149, NPT109, NPT110, NPT212, NPT208
Xlogp 3.2
Molecular Formula C15H12O4
Prediction Swissadme 0.0
Inchi Key DXDRHHKMWQZJHT-BAQGIRSFSA-N
Fcsp3 0.0
Logs -3.086
Rotatable Bond Count 3.0
Logd 2.858
Compound Name Lopac-I-3766
Prediction Hob Swissadme 0.0
Exact Mass 256.074
Formal Charge 0.0
Monoisotopic Mass 256.074
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 256.25
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Esol -3.7015618210526315
Inchi InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3-
Smiles C1=CC(=CC=C1/C=C\C(=O)C2=C(C=C(C=C2)O)O)O
Nring 2.0
Defined Bond Stereocenter Count 1.0