Molecule

ID:36552

General Information
Structure
Molecular Formula
C₁₄H₁₁ClN₂O₂
Molecular Mass
274.70234
Exact Mass
274.05090528
Charge
0
InChI
InChI=1S/C14H11ClN2O2/c1-8-10(9-4-2-3-5-12(9)16-8)6-11-13(7-15)17-19-14(11)18/h2-6,16H,7H2,1H3/b11-6+
InChIKey
VSFGNWSYTVKVTC-IZZDOVSWSA-N
Canonic Smiles
ClCC1=NOC(=O)/C/1=C/c1c(C)[nH]c2c1cccc2
Isomeric Smiles
C\1(=C\c2c([nH]c3c2cccc3)C)/C(=O)ON=C1CCl
Calculated Properties
JChem
Acid pKa
16.04308
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4976676
LogD (pH = 7.4)
3.4976737
Log P
3.4976737
Molar Refractivity
74.0042
Polarizability
28.909174
Polar Surface Area
54.45
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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