Molecule

ID:16109

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇NO
Molecular Mass
215.29088
Exact Mass
215.13101417
Charge
0
InChI
InChI=1S/C14H17NO/c1-12(10-13-6-3-2-4-7-13)15-11-14-8-5-9-16-14/h2-9,12,15H,10-11H2,1H3
InChIKey
XWWSVBIGONHVQI-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccccc1)NCc1ccco1
Isomeric Smiles
c1(occc1)CNC(Cc1ccccc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.10643289
LogD (pH = 7.4)
1.7135241
Log P
3.0215507
Molar Refractivity
65.4833
Polarizability
25.624273
Polar Surface Area
25.17
Rotatable Bonds
5
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