Molecule

ID:35430

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O
Molecular Mass
150.1778
Exact Mass
150.07931295
Charge
0
InChI
InChI=1S/C8H10N2O/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H3,9,10)
InChIKey
CSISQILZUHMAJB-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=N)N
Isomeric Smiles
C(=N)(c1ccc(cc1)OC)N
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.6793636
LogD (pH = 7.4)
-1.6752928
Log P
0.73604304
Molar Refractivity
54.1937
Polarizability
16.53411
Polar Surface Area
59.1
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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