Molecule
ID:59426
General Information
Molecular Formula
C₇H₁₂N₂
Molecular Mass
124.18358
Exact Mass
124.10004839
Charge
0
InChI
InChI=1S/C7H12N2/c1-7(2,3)6-4-8-5-9-6/h4-5H,1-3H3,(H,8,9)
InChIKey
ULKZTFQDSPKNMV-UHFFFAOYSA-N
Canonic Smiles
CC(c1nc[nH]c1)(C)C
Isomeric Smiles
n1c(C(C)(C)C)c[nH]c1
Calculated Properties
JChem
Acid pKa
14.390898
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.9726185
LogD (pH = 7.4)
1.7267424
Log P
1.7856824
Molar Refractivity
37.3067
Polarizability
14.430391
Polar Surface Area
28.68
Rotatable Bonds
1
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
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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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