Molecule

ID:107039

General Information
Structure
MolImage
Molecular Formula
C₅H₉N
Molecular Mass
83.13166
Exact Mass
83.07349929
Charge
0
InChI
InChI=1S/C5H9N/c1-4-5-6(2)3/h1H,5H2,2-3H3
InChIKey
ILBIXZPOMJFOJP-UHFFFAOYSA-N
Canonic Smiles
CN(CC#C)C
Isomeric Smiles
CN(C)CC#C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-2.4797163
LogD (pH = 7.4)
-0.7334635
Log P
0.4182525
Molar Refractivity
27.5683
Polarizability
10.386352
Polar Surface Area
3.24
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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