Molecule

ID:76407

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇Cl₂N
Molecular Mass
246.17608
Exact Mass
245.07380491
Charge
0
InChI
InChI=1S/C12H16ClN.ClH/c13-12-5-3-10(4-6-12)8-11-2-1-7-14-9-11;/h3-6,11,14H,1-2,7-9H2;1H
InChIKey
HIUXLJMLSDJUNC-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)CC1CCCNC1.Cl
Isomeric Smiles
N1CC(Cc2ccc(cc2)Cl)CCC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.022703543
LogD (pH = 7.4)
0.5288743
Log P
3.2048779
Molar Refractivity
60.8078
Polarizability
23.960758
Polar Surface Area
12.03
Rotatable Bonds
2
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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