Molecule

ID:69048

General Information
Structure
MolImage
Molecular Formula
C₇H₈N₂O₂
Molecular Mass
152.15062
Exact Mass
152.05857751
Charge
0
InChI
InChI=1S/C7H8N2O2/c1-11-7(10)5-3-2-4-6(8)9-5/h2-4H,1H3,(H2,8,9)
InChIKey
OHIHEJTUXNQOPM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc(n1)N
Isomeric Smiles
c1(cccc(n1)N)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.6994076
LogD (pH = 7.4)
0.7102917
Log P
0.71043223
Molar Refractivity
40.5683
Polarizability
15.030657
Polar Surface Area
65.21
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