Molecule

ID:75300

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O
Molecular Mass
174.1992
Exact Mass
174.07931295
Charge
0
InChI
InChI=1S/C10H10N2O/c1-6-3-8-9(4-7(6)2)12-10(13)5-11-8/h3-5H,1-2H3,(H,12,13)
InChIKey
YXHOLYSXLHTIOT-UHFFFAOYSA-N
Canonic Smiles
Oc1cnc2c(n1)cc(c(c2)C)C
Isomeric Smiles
n1c(cnc2cc(c(cc12)C)C)O
Calculated Properties
JChem
Acid pKa
12.009493
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.6166682
LogD (pH = 7.4)
2.616801
Log P
2.6168134
Molar Refractivity
49.8272
Polarizability
20.201117
Polar Surface Area
46.01
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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