Molecule

ID:109951

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃N
Molecular Mass
87.16342
Exact Mass
87.10479942
Charge
0
InChI
InChI=1S/C5H13N/c1-4-6-5(2)3/h5-6H,4H2,1-3H3
InChIKey
RIVIDPPYRINTTH-UHFFFAOYSA-N
Canonic Smiles
CCNC(C)C
Isomeric Smiles
CCNC(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.2993195
LogD (pH = 7.4)
-2.0055628
Log P
0.9373125
Molar Refractivity
28.6094
Polarizability
11.495053
Polar Surface Area
12.03
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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