Molecule

ID:3079

General Information
Structure
MolImage
Molecular Formula
C₃H₅N
Molecular Mass
55.0785
Exact Mass
55.04219917
Charge
0
InChI
InChI=1S/C3H5N/c1-3-4-2/h3H2,1H3
InChIKey
BPCWCZCOOFUXGQ-UHFFFAOYSA-N
Canonic Smiles
[C-]#[N+]CC
Isomeric Smiles
CC[N+]#[C-]
Calculated Properties
JChem
Acid pKa
16.270004
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-1.601601
LogD (pH = 7.4)
-1.601601
Log P
-1.601601
Molar Refractivity
26.2602
Polarizability
6.587204
Polar Surface Area
4.36
Rotatable Bonds
0
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
1.58
LOG S
-1.93
Solubility (Water)
1.08e+00 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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