Molecule

ID:58826

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂N₂
Molecular Mass
124.18358
Exact Mass
124.10004839
Charge
0
InChI
InChI=1S/C7H12N2/c1-2-3-5-9-6-4-8-7-9/h4,6-7H,2-3,5H2,1H3
InChIKey
MCMFEZDRQOJKMN-UHFFFAOYSA-N
Canonic Smiles
CCCCn1cncc1
Isomeric Smiles
n1cn(cc1)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.8694749
LogD (pH = 7.4)
1.3336389
Log P
1.4023509
Molar Refractivity
37.7831
Polarizability
14.426957
Polar Surface Area
17.82
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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