Molecule

ID:89657

General Information
Structure
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Molecular Formula
C₅H₁₃N
Molecular Mass
87.16342
Exact Mass
87.10479942
Charge
0
InChI
InChI=1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3
InChIKey
JOZZAIIGWFLONA-UHFFFAOYSA-N
Canonic Smiles
CC(C(C)C)N
Isomeric Smiles
NC(C)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.9927242
LogD (pH = 7.4)
-1.7157242
Log P
1.0354193
Molar Refractivity
28.0818
Polarizability
11.495053
Polar Surface Area
26.02
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
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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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