Molecule

ID:9901

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₂
Molecular Mass
126.19946
Exact Mass
126.11569846
Charge
0
InChI
InChI=1S/C7H14N2/c1-7(2,3)9-6-4-5-8/h9H,4,6H2,1-3H3
InChIKey
DGXPYBHONIFYLU-UHFFFAOYSA-N
Canonic Smiles
N#CCCNC(C)(C)C
Isomeric Smiles
C(NCCC#N)(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9707152
LogD (pH = 7.4)
-0.24335347
Log P
0.6340261
Molar Refractivity
38.2623
Polarizability
14.99472
Polar Surface Area
35.82
Rotatable Bonds
3
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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