Molecule

ID:61016

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO
Molecular Mass
189.2536
Exact Mass
189.11536411
Charge
0
InChI
InChI=1S/C12H15NO/c1-10-4-6-11(7-5-10)12(14)8-9-13(2)3/h4-9H,1-3H3/b9-8+
InChIKey
RRVBRKWQJVEFJN-CMDGGOBGSA-N
Canonic Smiles
CN(/C=C/C(=O)c1ccc(cc1)C)C
Isomeric Smiles
C(=C\N(C)C)/C(=O)c1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
17.546755
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6435549
LogD (pH = 7.4)
2.364366
Log P
2.3886428
Molar Refractivity
59.8542
Polarizability
22.259752
Polar Surface Area
20.31
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