Molecule

ID:67441

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂
Molecular Mass
122.1677
Exact Mass
122.08439833
Charge
0
InChI
InChI=1S/C7H10N2/c1-6-2-3-7(4-8)9-5-6/h2-3,5H,4,8H2,1H3
InChIKey
NXTVBKWLOZSCQE-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cn1)C
Isomeric Smiles
c1(ccc(cn1)C)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2711525
LogD (pH = 7.4)
-0.70884645
Log P
0.4762351
Molar Refractivity
36.8935
Polarizability
14.571675
Polar Surface Area
38.91
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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