Molecule

ID:18084

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O
Molecular Mass
150.1778
Exact Mass
150.07931295
Charge
0
InChI
InChI=1S/C8H10N2O/c1-10(2)8-7(6-11)4-3-5-9-8/h3-6H,1-2H3
InChIKey
VVVIFWBMZJTEDQ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccnc1N(C)C
Isomeric Smiles
c1(c(C=O)cccn1)N(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.9126422
LogD (pH = 7.4)
1.1660445
Log P
1.1705772
Molar Refractivity
45.2272
Polarizability
16.148102
Polar Surface Area
33.2
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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