Molecule

ID:40326

General Information
Structure
Molecular Formula
C₁₄H₁₁NO
Molecular Mass
209.24324
Exact Mass
209.08406398
Charge
0
InChI
InChI=1S/C14H11NO/c16-14-10-11-6-4-5-9-13(11)15(14)12-7-2-1-3-8-12/h1-9H,10H2
InChIKey
OWPNVXATCSXTBK-UHFFFAOYSA-N
Canonic Smiles
O=C1Cc2c(N1c1ccccc1)cccc2
Isomeric Smiles
N1(C(=O)Cc2c1cccc2)c1ccccc1
Calculated Properties
JChem
Acid pKa
13.334321
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5940747
LogD (pH = 7.4)
2.5940742
Log P
2.5940747
Molar Refractivity
62.4784
Polarizability
24.068726
Polar Surface Area
20.31
Rotatable Bonds
1
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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