Molecule

ID:16654

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄N₂O
Molecular Mass
214.26306
Exact Mass
214.11061308
Charge
0
InChI
InChI=1S/C13H14N2O/c1-14(2)11-5-7-12(8-6-11)15-9-3-4-13(15)10-16/h3-10H,1-2H3
InChIKey
SLLUNQHJYVKISH-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccn1c1ccc(cc1)N(C)C
Isomeric Smiles
n1(c2ccc(cc2)N(C)C)c(ccc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3649951
LogD (pH = 7.4)
2.229411
Log P
2.2659
Molar Refractivity
76.7005
Polarizability
25.042143
Polar Surface Area
25.24
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