Molecule

ID:125424

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClN
Molecular Mass
183.67786
Exact Mass
183.08147713
Charge
0
InChI
InChI=1S/C10H14ClN/c1-2-10(12)7-8-3-5-9(11)6-4-8/h3-6,10H,2,7,12H2,1H3
InChIKey
BDZUAWTZJXBMLX-UHFFFAOYSA-N
Canonic Smiles
CCC(Cc1ccc(cc1)Cl)N
Isomeric Smiles
Clc1ccc(cc1)CC(N)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.088758126
LogD (pH = 7.4)
0.4430058
Log P
2.9308176
Molar Refractivity
53.034
Polarizability
21.005486
Polar Surface Area
26.02
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation