Molecule

ID:62081

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(5-9-18)10-13-14(15)17-7-6-16-13/h6-7,11-12H,3-5,8-10H2,1-2H3
InChIKey
IDBDUZCSPKGXML-UHFFFAOYSA-N
Canonic Smiles
CC(N1CCCC(CC1)Cc1nccnc1Cl)C
Isomeric Smiles
N1(CCC(Cc2c(nccn2)Cl)CCC1)C(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.0676109
LogD (pH = 7.4)
-0.11143739
Log P
2.386672
Molar Refractivity
76.2716
Polarizability
29.613735
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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