Molecule

ID:46529

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClNO
Molecular Mass
269.81016
Exact Mass
269.15464207
Charge
0
InChI
InChI=1S/C15H23NO.ClH/c1-12-6-7-13(2)15(11-12)17-10-8-14-5-3-4-9-16-14;/h6-7,11,14,16H,3-5,8-10H2,1-2H3;1H
InChIKey
BTKVNULMGVSVPV-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)OCCC1CCCCN1)C.Cl
Isomeric Smiles
c1(c(ccc(c1)C)C)OCCC1NCCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.22257213
LogD (pH = 7.4)
0.81547475
Log P
3.4481068
Molar Refractivity
72.0056
Polarizability
28.25055
Polar Surface Area
21.26
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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