Molecule

ID:12502

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈ClN
Molecular Mass
175.69892
Exact Mass
175.11277726
Charge
0
InChI
InChI=1S/C9H17N.ClH/c1-6(10)9-5-7-2-3-8(9)4-7;/h6-9H,2-5,10H2,1H3;1H
InChIKey
DAPIZFRZVHERET-UHFFFAOYSA-N
Canonic Smiles
CC(C1CC2CC1CC2)N.Cl
Isomeric Smiles
C1C2CC(C(C1)C2)C(N)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.4567096
LogD (pH = 7.4)
-1.1679745
Log P
1.571143
Molar Refractivity
42.7766
Polarizability
17.397926
Polar Surface Area
26.02
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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