Molecule

ID:10416

General Information
Structure
MolImage
Molecular Formula
C₄H₉N
Molecular Mass
71.12096
Exact Mass
71.07349929
Charge
0
InChI
InChI=1S/C4H9N/c1-4(2)3-5/h1,3,5H2,2H3
InChIKey
VXDHQYLFEYUMFY-UHFFFAOYSA-N
Canonic Smiles
CC(=C)CN
Isomeric Smiles
C(C(=C)C)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.6532416
LogD (pH = 7.4)
-1.8519697
Log P
0.34915224
Molar Refractivity
23.3635
Polarizability
9.418702
Polar Surface Area
26.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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