Molecule

ID:75240

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁NO
Molecular Mass
197.23254
Exact Mass
197.08406398
Charge
0
InChI
InChI=1S/C13H11NO/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1-10H,(H,14,15)
InChIKey
ZVSKZLHKADLHSD-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)Nc1ccccc1
Isomeric Smiles
N(c1ccccc1)C(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
14.335373
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.0651307
LogD (pH = 7.4)
3.0651305
Log P
3.0651307
Molar Refractivity
61.5915
Polarizability
22.957657
Polar Surface Area
29.1
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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