Molecule

ID:27221

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₂
Molecular Mass
256.29974
Exact Mass
256.12117776
Charge
0
InChI
InChI=1S/C15H16N2O2/c1-11(15(18)17-16)19-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,16H2,1H3,(H,17,18)
InChIKey
FFMVOBJHZPFTGI-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C(Oc1ccc(cc1)c1ccccc1)C
Isomeric Smiles
C(=O)(C(Oc1ccc(c2ccccc2)cc1)C)NN
Calculated Properties
JChem
Acid pKa
12.373559
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.4047315
LogD (pH = 7.4)
2.4061074
Log P
2.4061291
Molar Refractivity
74.5422
Polarizability
30.136139
Polar Surface Area
64.35
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