Molecule

ID:90852

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁N
Molecular Mass
97.15824
Exact Mass
97.08914936
Charge
0
InChI
InChI=1S/C6H11N/c1-5-2-6(3-5)4-7/h6H,1-4,7H2
InChIKey
ZYTYWJHGVSRYNU-UHFFFAOYSA-N
Canonic Smiles
NCC1CC(=C)C1
Isomeric Smiles
NCC1CC(=C)C1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.4848402
LogD (pH = 7.4)
-2.0625148
Log P
0.53906035
Molar Refractivity
30.7879
Polarizability
12.366833
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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