Molecule

ID:74394

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃Cl₂N
Molecular Mass
158.06942
Exact Mass
157.04250478
Charge
0
InChI
InChI=1S/C5H12ClN.ClH/c1-5(6)4-7(2)3;/h5H,4H2,1-3H3;1H
InChIKey
OCWGRWAYARCRTQ-UHFFFAOYSA-N
Canonic Smiles
CN(CC(Cl)C)C.Cl
Isomeric Smiles
N(CC(C)Cl)(C)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-1.3413653
LogD (pH = 7.4)
0.43254375
Log P
1.2712344
Molar Refractivity
33.7502
Polarizability
13.282926
Polar Surface Area
3.24
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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