Molecule

ID:24034

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅ClN₂
Molecular Mass
186.6818
Exact Mass
186.09237617
Charge
0
InChI
InChI=1S/C9H14N2.ClH/c1-2-8-9-4-3-6-11(9)7-5-10-8;/h3-4,6,8,10H,2,5,7H2,1H3;1H
InChIKey
ZDICMKBDJFJAHF-UHFFFAOYSA-N
Canonic Smiles
CCC1NCCn2c1ccc2.Cl
Isomeric Smiles
c12n(ccc1)CCNC2CC.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.2881336
LogD (pH = 7.4)
0.38232553
Log P
1.5227284
Molar Refractivity
45.8128
Polarizability
17.96882
Polar Surface Area
16.96
Rotatable Bonds
1
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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