Molecule

ID:55304

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄ClN
Molecular Mass
135.63506
Exact Mass
135.08147713
Charge
0
InChI
InChI=1S/C6H13N.ClH/c1-7-6-4-2-3-5-6;/h6-7H,2-5H2,1H3;1H
InChIKey
DTMTYKUCZFYAEU-UHFFFAOYSA-N
Canonic Smiles
CNC1CCCC1.Cl
Isomeric Smiles
N(C1CCCC1)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.075067
LogD (pH = 7.4)
-1.7916017
Log P
1.1618234
Molar Refractivity
31.1066
Polarizability
12.598926
Polar Surface Area
12.03
Rotatable Bonds
1
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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