Molecule

ID:57069

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇NO₃
Molecular Mass
307.34318
Exact Mass
307.12084341
Charge
0
InChI
InChI=1S/C19H17NO3/c1-11-7-8-15-16(19(21)22)10-17(20-18(15)12(11)2)13-5-4-6-14(9-13)23-3/h4-10H,1-3H3,(H,21,22)
InChIKey
ZGNSSCMRFRROEI-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)c1cc(C(=O)O)c2c(n1)c(C)c(cc2)C
Isomeric Smiles
c1c(c(c2c(c1)c(cc(n2)c1cccc(c1)OC)C(=O)O)C)C
Calculated Properties
JChem
Acid pKa
3.5982807
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.7757435
LogD (pH = 7.4)
1.3407714
Log P
4.6907306
Molar Refractivity
88.5453
Polarizability
36.319736
Polar Surface Area
59.42
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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