Molecule

ID:62083

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClN₃
Molecular Mass
267.79758
Exact Mass
267.1502254
Charge
0
InChI
InChI=1S/C14H22ClN3/c1-11(2)18-8-3-4-12(7-9-18)10-13-5-6-14(15)17-16-13/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKey
CWUVXVKMUNWULQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(nn1)CC1CCCN(CC1)C(C)C
Isomeric Smiles
N1(CCC(Cc2nnc(Cl)cc2)CCC1)C(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.84036094
LogD (pH = 7.4)
0.023224194
Log P
2.6245744
Molar Refractivity
78.2918
Polarizability
29.621134
Polar Surface Area
29.02
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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