Molecule

ID:66362

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁ClN₂O
Molecular Mass
186.63874
Exact Mass
186.05599066
Charge
0
InChI
InChI=1S/C8H10N2O.ClH/c1-11-7-4-2-3-6(5-7)8(9)10;/h2-5H,1H3,(H3,9,10);1H
InChIKey
YDBIEYOHXLUHLK-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)C(=N)N.Cl
Isomeric Smiles
C(=N)(c1cc(ccc1)OC)N.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.6791735
LogD (pH = 7.4)
-1.6605778
Log P
0.73604304
Molar Refractivity
54.1937
Polarizability
16.534853
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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