Molecule

ID:55716

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆ClN
Molecular Mass
149.66164
Exact Mass
149.0971272
Charge
0
InChI
InChI=1S/C7H15N.ClH/c1-8-6-7-4-2-3-5-7;/h7-8H,2-6H2,1H3;1H
InChIKey
YRIMTMONXNUNNX-UHFFFAOYSA-N
Canonic Smiles
CNCC1CCCC1.Cl
Isomeric Smiles
N(CC1CCCC1)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.7600617
LogD (pH = 7.4)
-1.4768975
Log P
1.4768361
Molar Refractivity
35.8374
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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