Molecule

ID:56071

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O
Molecular Mass
174.1992
Exact Mass
174.07931295
Charge
0
InChI
InChI=1S/C10H10N2O/c13-10-7-6-9(11-12-10)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)
InChIKey
KSGYMLDMYPAMFV-UHFFFAOYSA-N
Canonic Smiles
O=C1CCC(=NN1)c1ccccc1
Isomeric Smiles
c1ccc(cc1)C1=NNC(=O)CC1
Calculated Properties
JChem
Acid pKa
11.796323
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0022417
LogD (pH = 7.4)
1.0022976
Log P
1.002314
Molar Refractivity
49.6334
Polarizability
18.886396
Polar Surface Area
41.46
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