Molecule

ID:101602

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₅NO₃
Molecular Mass
293.3166
Exact Mass
293.10519335
Charge
0
InChI
InChI=1S/C18H15NO3/c1-11-3-8-14-15(18(20)21)10-16(19-17(14)9-11)12-4-6-13(22-2)7-5-12/h3-10H,1-2H3,(H,20,21)
InChIKey
QGYSRDDVLFRRHR-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1nc2cc(C)ccc2c(c1)C(=O)O
Isomeric Smiles
n1c2c(c(cc1c1ccc(cc1)OC)C(=O)O)ccc(c2)C
Calculated Properties
JChem
Acid pKa
3.5943527
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.246412
LogD (pH = 7.4)
0.82187945
Log P
4.0304465
Molar Refractivity
83.5041
Polarizability
34.550877
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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