Molecule

ID:74386

General Information
Structure
MolImage
Molecular Formula
C₄H₉N
Molecular Mass
71.12096
Exact Mass
71.07349929
Charge
0
InChI
InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2
InChIKey
RWRDLPDLKQPQOW-UHFFFAOYSA-N
Canonic Smiles
C1CCCN1
Isomeric Smiles
N1CCCC1
Calculated Properties
JChem
LogD (pH = 7.4)
-2.96
LogD (pH = 5.5)
-3.03
Log P
0.21
Rotatable Bonds
0
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
11.40
Polar Surface Area
12.03
Polarizability
8.58
Molar Refractivity
22.23
LOG S
0.58
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
No Data Available
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Molecule Details
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References
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Bioactivity
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