Molecule

ID:55146

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈ClN
Molecular Mass
175.69892
Exact Mass
175.11277726
Charge
0
InChI
InChI=1S/C9H17N.ClH/c1-2-5-9-7-3-6-8(4-1)10-9;/h8-10H,1-7H2;1H
InChIKey
IGQSWMHPHCELJV-UHFFFAOYSA-N
Canonic Smiles
C1CCC2NC(C1)CCC2.Cl
Isomeric Smiles
C1C2NC(CC1)CCCC2.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.1653274
LogD (pH = 7.4)
-0.8980363
Log P
2.0719566
Molar Refractivity
42.9188
Polarizability
17.397926
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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