Molecule

ID:35105

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N₃O₂
Molecular Mass
207.22912
Exact Mass
207.10077667
Charge
0
InChI
InChI=1S/C10H13N3O2/c11-13-9(14)6-7-12-10(15)8-4-2-1-3-5-8/h1-5H,6-7,11H2,(H,12,15)(H,13,14)
InChIKey
CVNLFXKHHAOTBP-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CCNC(=O)c1ccccc1
Isomeric Smiles
C(=O)(c1ccccc1)NCCC(=O)NN
Calculated Properties
JChem
Acid pKa
12.569275
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-0.34213567
LogD (pH = 7.4)
-0.34087884
Log P
-0.3408601
Molar Refractivity
57.1234
Polarizability
21.33951
Polar Surface Area
84.22
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