Molecule

ID:48698

General Information
Structure
Molecular Formula
C₁₄H₁₃ClN₂
Molecular Mass
244.71942
Exact Mass
244.07672611
Charge
0
InChI
InChI=1S/C14H13ClN2/c15-13-8-3-9-14(16-13)17-10-4-6-11-5-1-2-7-12(11)17/h1-3,5,7-9H,4,6,10H2
InChIKey
FZOPGCKPHMPYHR-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(n1)N1CCCc2c1cccc2
Isomeric Smiles
N1(c2nc(Cl)ccc2)c2c(CCC1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.3222876
LogD (pH = 7.4)
4.3223114
Log P
4.322312
Molar Refractivity
71.3742
Polarizability
26.804672
Polar Surface Area
16.13
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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