Molecule

ID:19373

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈ClN
Molecular Mass
247.76312
Exact Mass
247.11277726
Charge
0
InChI
InChI=1S/C15H17N.ClH/c1-2-8-14-12(5-1)6-3-9-15(14)13-7-4-10-16-11-13;/h1-3,5-6,8-9,13,16H,4,7,10-11H2;1H
InChIKey
GRNAYCMSSALJPY-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)c1cccc2c1cccc2.Cl
Isomeric Smiles
c1(c2c(ccc1)cccc2)C1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.08026314
LogD (pH = 7.4)
0.50351685
Log P
3.1457412
Molar Refractivity
67.8522
Polarizability
27.937393
Polar Surface Area
12.03
Rotatable Bonds
1
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
暂无数据
点击上传数据
References
Bioactivity
Navigation