Molecule

ID:57237

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃N
Molecular Mass
99.17412
Exact Mass
99.10479942
Charge
0
InChI
InChI=1S/C6H13N/c1-5(7-2)6-3-4-6/h5-7H,3-4H2,1-2H3
InChIKey
CBWBPZZRBSZHEE-UHFFFAOYSA-N
Canonic Smiles
CNC(C1CC1)C
Isomeric Smiles
C1C(C1)C(C)NC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.2326193
LogD (pH = 7.4)
-1.9492669
Log P
1.0042738
Molar Refractivity
31.0542
Polarizability
12.598926
Polar Surface Area
12.03
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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