Molecule

ID:24803

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄ClN
Molecular Mass
135.63506
Exact Mass
135.08147713
Charge
0
InChI
InChI=1S/C6H13N.ClH/c1-6(2)4-3-5-7-6;/h7H,3-5H2,1-2H3;1H
InChIKey
MZQJSLYOHPXTJR-UHFFFAOYSA-N
Canonic Smiles
CC1(C)CCCN1.Cl
Isomeric Smiles
C1CC(NC1)(C)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.331263
LogD (pH = 7.4)
-2.2804663
Log P
0.9100707
Molar Refractivity
31.2914
Polarizability
12.598926
Polar Surface Area
12.03
Rotatable Bonds
0
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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