Molecule
ID:10899
General Information
Molecular Formula
C₁₈H₁₃NO₂
Molecular Mass
275.30132
Exact Mass
275.09462866
Charge
0
InChI
InChI=1S/C18H13NO2/c20-18(21)16-13-7-3-4-8-15(13)19-17-12-6-2-1-5-11(12)9-10-14(16)17/h1-8H,9-10H2,(H,20,21)
InChIKey
QWNOQAWEROHNNQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c2CCc3c(c2nc2c1cccc2)cccc3
Isomeric Smiles
c12c(c(c3c(n1)cccc3)C(=O)O)CCc1c2cccc1
Calculated Properties
JChem
Acid pKa
3.581944
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.4595451
LogD (pH = 7.4)
1.0311586
Log P
4.384676
Molar Refractivity
80.2799
Polarizability
33.102642
Polar Surface Area
50.19
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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