Molecule

ID:32170

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄ClN
Molecular Mass
135.63506
Exact Mass
135.08147713
Charge
0
InChI
InChI=1S/C6H13N.ClH/c1-5-3-2-4-6(5)7;/h5-6H,2-4,7H2,1H3;1H
InChIKey
UEWUQJCETUWGDX-UHFFFAOYSA-N
Canonic Smiles
NC1CCCC1C.Cl
Isomeric Smiles
C1(C(CCC1)C)N.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.934254
LogD (pH = 7.4)
-1.6708193
Log P
1.0942159
Molar Refractivity
30.8036
Polarizability
12.598926
Polar Surface Area
26.02
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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