Molecule

ID:23641

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆ClN
Molecular Mass
149.66164
Exact Mass
149.0971272
Charge
0
InChI
InChI=1S/C7H15N.ClH/c1-2-8-7-5-3-4-6-7;/h7-8H,2-6H2,1H3;1H
InChIKey
ZVPOLHUNQBAUME-UHFFFAOYSA-N
Canonic Smiles
CCNC1CCCC1.Cl
Isomeric Smiles
N(C1CCCC1)CC.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.719105
LogD (pH = 7.4)
-1.4711972
Log P
1.5186313
Molar Refractivity
35.8552
Polarizability
14.445701
Polar Surface Area
12.03
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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