Molecule

ID:89682

General Information
Structure
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Molecular Formula
C₃H₅NO
Molecular Mass
71.0779
Exact Mass
71.03711379
Charge
0
InChI
InChI=1S/C3H5NO/c1-5-3-2-4/h3H2,1H3
InChIKey
QKPVEISEHYYHRH-UHFFFAOYSA-N
Canonic Smiles
COCC#N
Isomeric Smiles
O(CC#N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.3395184
LogD (pH = 7.4)
-0.3395184
Log P
-0.3395184
Molar Refractivity
18.0764
Polarizability
6.8247056
Polar Surface Area
33.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
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
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Molecule Details
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References
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Bioactivity
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