Molecule

ID:40752

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀ClN₃O
Molecular Mass
187.6268
Exact Mass
187.05123964
Charge
0
InChI
InChI=1S/C7H10ClN3O/c1-11(2)7-9-5(8)4-6(10-7)12-3/h4H,1-3H3
InChIKey
JPMVSOQQUQLZJU-UHFFFAOYSA-N
Canonic Smiles
COc1cc(Cl)nc(n1)N(C)C
Isomeric Smiles
c1(nc(cc(n1)OC)Cl)N(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.0970454
LogD (pH = 7.4)
2.0975668
Log P
2.0975735
Molar Refractivity
49.7397
Polarizability
17.888638
Polar Surface Area
38.25
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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