Molecule

ID:41406

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂N₂O
Molecular Mass
140.18298
Exact Mass
140.09496301
Charge
0
InChI
InChI=1S/C7H12N2O/c10-8-7-5-9-3-1-6(7)2-4-9/h6,10H,1-5H2/b8-7+
InChIKey
QSXHBTDHLNHMLV-BQYQJAHWSA-N
Canonic Smiles
O/N=C/1\CN2CCC1CC2
Isomeric Smiles
C\1(=N/O)/CN2CCC1CC2
Calculated Properties
JChem
Acid pKa
11.488943
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.9560947
LogD (pH = 7.4)
-1.4268643
Log P
0.30371445
Molar Refractivity
39.1837
Polarizability
15.115832
Polar Surface Area
35.83
Rotatable Bonds
0
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