Molecule

ID:91871

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂N₂
Molecular Mass
124.18358
Exact Mass
124.10004839
Charge
0
InChI
InChI=1S/C7H12N2/c1-6-3-4-7(5-8)9(6)2/h3-4H,5,8H2,1-2H3
InChIKey
KMUHAJOXPNPERW-UHFFFAOYSA-N
Canonic Smiles
Cn1c(CN)ccc1C
Isomeric Smiles
n1(c(ccc1C)CN)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.4003067
LogD (pH = 7.4)
-1.1384618
Log P
0.52213687
Molar Refractivity
39.2141
Polarizability
14.935197
Polar Surface Area
30.95
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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