Molecule

ID:11475

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁ClN₂O₂
Molecular Mass
274.70234
Exact Mass
274.05090528
Charge
0
InChI
InChI=1S/C14H10N2O2.ClH/c17-14(18)10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13;/h1-8H,(H,15,16)(H,17,18);1H
InChIKey
YUSLWJNWXZLZIX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cc1)c1nc2c([nH]1)cccc2.Cl
Isomeric Smiles
c1(nc2c([nH]1)cccc2)c1ccc(C(=O)O)cc1.Cl
Calculated Properties
JChem
Acid pKa
3.7513726
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.3178647
LogD (pH = 7.4)
-0.19041236
Log P
1.6872381
Molar Refractivity
77.3263
Polarizability
27.254396
Polar Surface Area
65.98
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
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Molecule Details
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References
Bioactivity
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