Molecule

ID:91366

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂
Molecular Mass
122.1677
Exact Mass
122.08439833
Charge
0
InChI
InChI=1S/C7H10N2/c1-5-3-4-9-6(2)7(5)8/h3-4H,8H2,1-2H3
InChIKey
FSYHJEBPLDNXAM-UHFFFAOYSA-N
Canonic Smiles
Nc1c(C)ccnc1C
Isomeric Smiles
n1c(c(c(cc1)C)N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6914092
LogD (pH = 7.4)
0.37143895
Log P
0.57143897
Molar Refractivity
38.2342
Polarizability
14.099566
Polar Surface Area
38.91
Rotatable Bonds
0
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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