Molecule

ID:78350

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₂
Molecular Mass
126.19946
Exact Mass
126.11569846
Charge
0
InChI
InChI=1S/C7H14N2/c1-6(2)8-5-9-7(3)4/h6-7H,1-4H3
InChIKey
BDNKZNFMNDZQMI-UHFFFAOYSA-N
Canonic Smiles
CC(N=C=NC(C)C)C
Isomeric Smiles
N(=C=NC(C)C)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7392178
LogD (pH = 7.4)
1.740468
Log P
1.740484
Molar Refractivity
38.6268
Polarizability
14.769711
Polar Surface Area
24.72
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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