Molecule

ID:81920

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO
Molecular Mass
189.2536
Exact Mass
189.11536411
Charge
0
InChI
InChI=1S/C12H15NO/c1-3-4-5-11-6-7-12(13-9-14)10(2)8-11/h6-8H,3-5H2,1-2H3
InChIKey
ZIDVZMFYBGXIBH-UHFFFAOYSA-N
Canonic Smiles
CCCCc1ccc(c(c1)C)N=C=O
Isomeric Smiles
N(=C=O)c1c(cc(cc1)CCCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.24335
LogD (pH = 7.4)
4.24335
Log P
4.24335
Molar Refractivity
59.0154
Polarizability
21.68972
Polar Surface Area
29.43
Rotatable Bonds
4
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