Molecule

ID:13465

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClN
Molecular Mass
147.64576
Exact Mass
147.08147713
Charge
0
InChI
InChI=1S/C7H13N.ClH/c1-4-5-8-6-7(2)3;/h1,7-8H,5-6H2,2-3H3;1H
InChIKey
YWEPVZREDLYTOB-UHFFFAOYSA-N
Canonic Smiles
C#CCNCC(C)C.Cl
Isomeric Smiles
N(CC(C)C)CC#C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.896739
LogD (pH = 7.4)
-0.8196777
Log P
1.2795078
Molar Refractivity
36.0178
Polarizability
14.080099
Polar Surface Area
12.03
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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