Molecule

ID:89487

General Information
Structure
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Molecular Formula
C₅H₇N
Molecular Mass
81.11578
Exact Mass
81.05784923
Charge
0
InChI
InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3
InChIKey
OXHNLMTVIGZXSG-UHFFFAOYSA-N
Canonic Smiles
Cn1cccc1
Isomeric Smiles
n1(cccc1)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.276806
LogD (pH = 7.4)
1.276806
Log P
1.276806
Molar Refractivity
25.7135
Polarizability
9.80673
Polar Surface Area
4.93
Rotatable Bonds
0
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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