Molecule

ID:60810

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClN₃O₂
Molecular Mass
241.67418
Exact Mass
241.06180432
Charge
0
InChI
InChI=1S/C10H12ClN3O2/c1-6-3-7(2)13-9(12-6)14-5-8(4-11)16-10(14)15/h3,8H,4-5H2,1-2H3
InChIKey
WANYDHPJNOXTDI-UHFFFAOYSA-N
Canonic Smiles
ClCC1CN(C(=O)O1)c1nc(C)cc(n1)C
Isomeric Smiles
N1(c2nc(cc(n2)C)C)C(=O)OC(C1)CCl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.2650548
LogD (pH = 7.4)
1.2650613
Log P
1.2650614
Molar Refractivity
58.4983
Polarizability
22.537962
Polar Surface Area
55.32
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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