Molecule

ID:66035

General Information
Structure
Molecular Formula
C₁₃H₁₀ClNO
Molecular Mass
231.6776
Exact Mass
231.04509163
Charge
0
InChI
InChI=1S/C13H10ClNO/c14-13-6-5-12(8-15-13)7-10-1-3-11(9-16)4-2-10/h1-6,8-9H,7H2
InChIKey
XNANGQYLMXGBOO-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)Cc1ccc(nc1)Cl
Isomeric Smiles
n1c(Cl)ccc(c1)Cc1ccc(C=O)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3840613
LogD (pH = 7.4)
3.3840911
Log P
3.3840916
Molar Refractivity
66.0884
Polarizability
24.60264
Polar Surface Area
29.96
Rotatable Bonds
3
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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