Molecule

ID:101189

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO
Molecular Mass
177.2429
Exact Mass
177.11536411
Charge
0
InChI
InChI=1S/C11H15NO/c1-12-8-9-4-5-11-10(7-9)3-2-6-13-11/h4-5,7,12H,2-3,6,8H2,1H3
InChIKey
OYZVOCNCDRSGDZ-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccc2c(c1)CCCO2
Isomeric Smiles
c12c(OCCC2)ccc(c1)CNC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3299685
LogD (pH = 7.4)
-0.32720488
Log P
1.8583806
Molar Refractivity
53.6798
Polarizability
20.940775
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