Molecule

ID:101504

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c13-9-10-3-5-12(6-4-10)8-11-2-1-7-14-11/h1-2,7,9-10H,3-6,8H2
InChIKey
WNHAQLLATBSKCQ-UHFFFAOYSA-N
Canonic Smiles
O=CC1CCN(CC1)Cc1ccco1
Isomeric Smiles
N1(Cc2occc2)CCC(C=O)CC1
Calculated Properties
JChem
Acid pKa
14.911147
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.4119323
LogD (pH = 7.4)
0.32440773
Log P
0.8893836
Molar Refractivity
54.4481
Polarizability
20.951437
Polar Surface Area
33.45
Rotatable Bonds
3
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