Molecule

ID:89301

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₂
Molecular Mass
173.16808
Exact Mass
173.04767847
Charge
0
InChI
InChI=1S/C10H7NO2/c12-10(13)8-1-2-9-6-11-4-3-7(9)5-8/h1-6H,(H,12,13)
InChIKey
ADAHADRJWVCICR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)ccnc2
Isomeric Smiles
n1cc2ccc(cc2cc1)C(=O)O
Calculated Properties
JChem
Acid pKa
4.090076
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.12994856
LogD (pH = 7.4)
-1.7681129
Log P
1.0014831
Molar Refractivity
47.6075
Polarizability
19.264671
Polar Surface Area
50.19
Rotatable Bonds
1
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