Molecule

ID:25382

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₅NO₂
Molecular Mass
277.3172
Exact Mass
277.11027873
Charge
0
InChI
InChI=1S/C18H15NO2/c1-11-6-8-13(9-7-11)16-10-15(18(20)21)14-5-3-4-12(2)17(14)19-16/h3-10H,1-2H3,(H,20,21)
InChIKey
QVVZBONLURDKEG-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)c1cc(C(=O)O)c2c(n1)c(C)ccc2
Isomeric Smiles
n1c2c(c(cc1c1ccc(cc1)C)C(=O)O)cccc2C
Calculated Properties
JChem
Acid pKa
3.5890207
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.9317214
LogD (pH = 7.4)
1.4978181
Log P
4.848402
Molar Refractivity
82.0821
Polarizability
33.8493
Polar Surface Area
50.19
Rotatable Bonds
2
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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