Molecule

ID:2135

General Information
Structure
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Molecular Formula
C₃H₉N
Molecular Mass
59.11026
Exact Mass
59.07349929
Charge
0
InChI
InChI=1S/C3H9N/c1-3-4-2/h4H,3H2,1-2H3
InChIKey
LIWAQLJGPBVORC-UHFFFAOYSA-N
Canonic Smiles
CNCC
Isomeric Smiles
CCNC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-3.0711794
LogD (pH = 7.4)
-2.7213953
Log P
0.16392948
Molar Refractivity
19.442
Polarizability
7.800994
Polar Surface Area
12.03
Rotatable Bonds
1
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
0.13
LOG S
0.85
Solubility (Water)
4.18e+02 g/l
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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