Molecule

ID:48696

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃ClN₂
Molecular Mass
244.71942
Exact Mass
244.07672611
Charge
0
InChI
InChI=1S/C14H13ClN2/c15-13-6-3-7-14(16-13)17-9-8-11-4-1-2-5-12(11)10-17/h1-7H,8-10H2
InChIKey
QAAFMHSDVAMJHU-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(n1)N1CCc2c(C1)cccc2
Isomeric Smiles
N1(c2nc(Cl)ccc2)Cc2c(CC1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.0462594
LogD (pH = 7.4)
4.0466533
Log P
4.046658
Molar Refractivity
72.4315
Polarizability
26.804398
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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