Molecule

ID:63591

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁N
Molecular Mass
97.15824
Exact Mass
97.08914936
Charge
0
InChI
InChI=1S/C6H11N/c1-2-6-4-3-5(1)7-6/h5-7H,1-4H2/t5-,6+
InChIKey
SNZSSCZJMVIOCR-OLQVQODUSA-N
Canonic Smiles
C1C[C@@H]2N[C@H]1CC2
Isomeric Smiles
[C@@H]12CC[C@@H](CC1)N2
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.5019734
LogD (pH = 7.4)
-2.3801162
Log P
0.7382506
Molar Refractivity
29.1158
Polarizability
11.859141
Polar Surface Area
12.03
Rotatable Bonds
0
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
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Molecule Details
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References
Bioactivity
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