Molecule

ID:20855

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO
Molecular Mass
191.26948
Exact Mass
191.13101417
Charge
0
InChI
InChI=1S/C12H17NO/c1-10-5-2-3-7-12(10)14-11-6-4-8-13-9-11/h2-3,5,7,11,13H,4,6,8-9H2,1H3
InChIKey
YJSMDJHWELLBBO-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1OC1CCCNC1
Isomeric Smiles
c1(OC2CNCCC2)c(C)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7399293
LogD (pH = 7.4)
0.36982006
Log P
2.430157
Molar Refractivity
57.498
Polarizability
22.792383
Polar Surface Area
21.26
Rotatable Bonds
2
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