Molecule

ID:55149

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄ClN
Molecular Mass
159.65646
Exact Mass
159.08147713
Charge
0
InChI
InChI=1S/C8H13N.ClH/c1-2-5-8(4-1)6-3-7-9-8;/h1-2,9H,3-7H2;1H
InChIKey
XWTKZQXSJYMYKW-UHFFFAOYSA-N
Canonic Smiles
C1CNC2(C1)CC=CC2.Cl
Isomeric Smiles
C12(CC=CC1)NCCC2.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.1116178
LogD (pH = 7.4)
-2.0438802
Log P
1.129468
Molar Refractivity
39.6538
Polarizability
15.31781
Polar Surface Area
12.03
Rotatable Bonds
0
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
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References
Bioactivity
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