Molecule

ID:35098

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈ClN
Molecular Mass
187.70962
Exact Mass
187.11277726
Charge
0
InChI
InChI=1S/C10H18ClN/c11-8-9-4-3-7-12-6-2-1-5-10(9)12/h9-10H,1-8H2
InChIKey
IBXKSXHUBMYDFR-UHFFFAOYSA-N
Canonic Smiles
ClCC1CCCN2C1CCCC2
Isomeric Smiles
N12C(C(CCl)CCC1)CCCC2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-1.1365298
LogD (pH = 7.4)
0.055482347
Log P
2.2751117
Molar Refractivity
53.2948
Polarizability
21.030443
Polar Surface Area
3.24
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
Molecule Details
References
Bioactivity
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