Molecule

ID:89784

General Information
Structure
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Molecular Formula
C₇H₁₂N₂
Molecular Mass
124.18358
Exact Mass
124.10004839
Charge
0
InChI
InChI=1S/C7H12N2/c1-3-7-8-4-2-6-9(7)5-1/h1-6H2
InChIKey
SGUVLZREKBPKCE-UHFFFAOYSA-N
Canonic Smiles
C1CN=C2N(C1)CCC2
Isomeric Smiles
N1=C2N(CCC1)CCC2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-2.4970253
LogD (pH = 7.4)
-2.482047
Log P
-0.08176086
Molar Refractivity
37.4028
Polarizability
14.026786
Polar Surface Area
15.6
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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