Molecule

ID:51102

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉ClN₂
Molecular Mass
262.77776
Exact Mass
262.1236763
Charge
0
InChI
InChI=1S/C15H18N2.ClH/c1-10-5-6-14-12(9-10)11-3-2-4-13-15(11)17(14)8-7-16-13;/h5-6,9,13,16H,2-4,7-8H2,1H3;1H
InChIKey
LIFOOCLGAAEVIF-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)c1CCCC3c1n2CCN3.Cl
Isomeric Smiles
n12c3c(c4c1ccc(c4)C)CCCC3NCC2.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.20114201
LogD (pH = 7.4)
1.8169626
Log P
3.1047232
Molar Refractivity
70.4207
Polarizability
28.33594
Polar Surface Area
16.96
Rotatable Bonds
0
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