Molecule

ID:24412

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀N₂
Molecular Mass
98.1463
Exact Mass
98.08439833
Charge
0
InChI
InChI=1S/C5H10N2/c1-2-7-5-3-4-6/h7H,2-3,5H2,1H3
InChIKey
RUVUQOOKKGVDNN-UHFFFAOYSA-N
Canonic Smiles
CCNCCC#N
Isomeric Smiles
N#CCCNCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.523192
LogD (pH = 7.4)
-0.78917766
Log P
-0.0631256
Molar Refractivity
29.2053
Polarizability
11.307113
Polar Surface Area
35.82
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
References
Bioactivity
Navigation