Molecule

ID:86625

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉ClN₂O
Molecular Mass
242.74506
Exact Mass
242.11859092
Charge
0
InChI
InChI=1S/C12H18N2O.ClH/c1-12(2,3)9-4-6-10(7-5-9)15-8-11(13)14;/h4-7H,8H2,1-3H3,(H3,13,14);1H
InChIKey
UAOWADVOQLCJBN-UHFFFAOYSA-N
Canonic Smiles
NC(=N)COc1ccc(cc1)C(C)(C)C.Cl
Isomeric Smiles
N=C(COc1ccc(cc1)C(C)(C)C)N.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.30639547
LogD (pH = 7.4)
0.06410009
Log P
2.1014998
Molar Refractivity
71.688
Polarizability
23.839554
Polar Surface Area
59.1
Rotatable Bonds
4
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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