Molecule

ID:136467

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁N
Molecular Mass
97.15824
Exact Mass
97.08914936
Charge
0
InChI
InChI=1S/C6H11N/c1-3-5-7-6-4-2/h3-4,7H,1-2,5-6H2
InChIKey
DYUWTXWIYMHBQS-UHFFFAOYSA-N
Canonic Smiles
C=CCNCC=C
Isomeric Smiles
C=CCNCC=C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.8309826
LogD (pH = 7.4)
-0.4802886
Log P
1.2696211
Molar Refractivity
33.0188
Polarizability
12.885164
Polar Surface Area
12.03
Rotatable Bonds
4
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
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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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