Molecule

ID:74431

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃N
Molecular Mass
87.16342
Exact Mass
87.10479942
Charge
0
InChI
InChI=1S/C5H13N/c1-5(2,3)6-4/h6H,1-4H3
InChIKey
ZQGJEUVBUVKZKS-UHFFFAOYSA-N
Canonic Smiles
CNC(C)(C)C
Isomeric Smiles
N(C)C(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.3756866
LogD (pH = 7.4)
-2.087307
Log P
0.8610812
Molar Refractivity
28.499
Polarizability
11.495053
Polar Surface Area
12.03
Rotatable Bonds
1
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
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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