Molecule

ID:30616

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂N₂O
Molecular Mass
140.18298
Exact Mass
140.09496301
Charge
0
InChI
InChI=1S/C7H12N2O/c1-5(2)7-3-6(4-8)10-9-7/h3,5H,4,8H2,1-2H3
InChIKey
MKXNIPKWBZUUAJ-UHFFFAOYSA-N
Canonic Smiles
NCc1onc(c1)C(C)C
Isomeric Smiles
n1c(cc(o1)CN)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4274963
LogD (pH = 7.4)
0.2491784
Log P
0.7584531
Molar Refractivity
39.6438
Polarizability
15.12168
Polar Surface Area
52.05
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
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References
Bioactivity
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