Molecule

ID:12922

General Information
Structure
Molecular Formula
C₁₀H₂₀ClN
Molecular Mass
189.7255
Exact Mass
189.12842733
Charge
0
InChI
InChI=1S/C10H19N.ClH/c1-2-5-10(6-3-1)7-4-8-11-9-10;/h11H,1-9H2;1H
InChIKey
JUTPOBZKSMBSHM-UHFFFAOYSA-N
Canonic Smiles
C1CCC2(CC1)CCCNC2.Cl
Isomeric Smiles
C1CCCCC21CNCCC2.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.96194184
LogD (pH = 7.4)
-0.52741754
Log P
2.2704415
Molar Refractivity
47.7059
Polarizability
19.244478
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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