Molecule

ID:27116

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈N₂O
Molecular Mass
170.25202
Exact Mass
170.14191321
Charge
0
InChI
InChI=1S/C9H18N2O/c10-11-9(12)7-6-8-4-2-1-3-5-8/h8H,1-7,10H2,(H,11,12)
InChIKey
KIRFVQALDHTBPN-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CCC1CCCCC1
Isomeric Smiles
C(=O)(NN)CCC1CCCCC1
Calculated Properties
JChem
Acid pKa
13.411317
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.4173551
LogD (pH = 7.4)
1.4198757
Log P
1.4199083
Molar Refractivity
49.3283
Polarizability
19.21181
Polar Surface Area
55.12
Rotatable Bonds
3
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