Molecule

ID:31667

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁N
Molecular Mass
85.14754
Exact Mass
85.08914936
Charge
0
InChI
InChI=1S/C5H11N/c1-5(6)3-2-4-5/h2-4,6H2,1H3
InChIKey
ZAXBVBGWLMVNJN-UHFFFAOYSA-N
Canonic Smiles
CC1(N)CCC1
Isomeric Smiles
C1(N)(CCC1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.4630332
LogD (pH = 7.4)
-2.1918218
Log P
0.565251
Molar Refractivity
26.3692
Polarizability
10.75224
Polar Surface Area
26.02
Rotatable Bonds
0
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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