Molecule

ID:18921

General Information
Structure
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Molecular Formula
C₄H₇N
Molecular Mass
69.10508
Exact Mass
69.05784923
Charge
0
InChI
InChI=1S/C4H7N/c1-2-4-5-3-1/h1-2,5H,3-4H2
InChIKey
JVQIKJMSUIMUDI-UHFFFAOYSA-N
Canonic Smiles
N1CC=CC1
Isomeric Smiles
C1=CCNC1
Calculated Properties
JChem
LogD (pH = 7.4)
-2.84
LogD (pH = 5.5)
-3.08
Log P
0.16
Rotatable Bonds
0
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
10.77
Polar Surface Area
12.03
Polarizability
7.82
Molar Refractivity
23.04
LOG S
0.09
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
No Data Available
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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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