Molecule

ID:16489

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O
Molecular Mass
150.1778
Exact Mass
150.07931295
Charge
0
InChI
InChI=1S/C8H10N2O/c1-3-4-10-5-8(6-11)7(2)9-10/h3,5-6H,1,4H2,2H3
InChIKey
USQJNIWLBVSSQI-UHFFFAOYSA-N
Canonic Smiles
C=CCn1cc(c(n1)C)C=O
Isomeric Smiles
n1(cc(c(n1)C)C=O)CC=C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.9760394
LogD (pH = 7.4)
0.97622585
Log P
0.97622824
Molar Refractivity
55.2996
Polarizability
16.081064
Polar Surface Area
34.89
Rotatable Bonds
3
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
References
Bioactivity
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