Molecule

ID:9948

General Information
Structure
MolImage
Molecular Formula
C₃H₇N
Molecular Mass
57.09438
Exact Mass
57.05784923
Charge
0
InChI
InChI=1S/C3H7N/c4-3-1-2-3/h3H,1-2,4H2
InChIKey
HTJDQJBWANPRPF-UHFFFAOYSA-N
Canonic Smiles
NC1CC1
Isomeric Smiles
C1CC1N
Calculated Properties
JChem
LogD (pH = 7.4)
-2.67
LogD (pH = 5.5)
-3.18
Log P
-0.16
Rotatable Bonds
0
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
10.06
Polar Surface Area
26.02
Polarizability
6.86
Molar Refractivity
17.13
LOG S
0.22
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation