Molecule

ID:48553

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁ClN₂O
Molecular Mass
258.70294
Exact Mass
258.05599066
Charge
0
InChI
InChI=1S/C14H11ClN2O/c15-13-11(5-3-8-16-13)14(18)17-9-7-10-4-1-2-6-12(10)17/h1-6,8H,7,9H2
InChIKey
LHVUHRTVMUBVEH-UHFFFAOYSA-N
Canonic Smiles
Clc1ncccc1C(=O)N1CCc2c1cccc2
Isomeric Smiles
N1(C(=O)c2c(nccc2)Cl)c2c(CC1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5756335
LogD (pH = 7.4)
2.5756347
Log P
2.5756347
Molar Refractivity
71.7262
Polarizability
26.938913
Polar Surface Area
33.2
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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