Molecule

ID:123785

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClN₂O
Molecular Mass
224.68672
Exact Mass
224.07164073
Charge
0
InChI
InChI=1S/C11H13ClN2O/c12-9-4-3-8(7-10(9)13)11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6,13H2
InChIKey
SWHCTGFQQPMRIY-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(c(c1)N)Cl)N1CCCC1
Isomeric Smiles
C(=O)(N1CCCC1)c1cc(c(cc1)Cl)N
Calculated Properties
JChem
Acid pKa
19.934793
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4520638
LogD (pH = 7.4)
1.4521533
Log P
1.4521544
Molar Refractivity
61.976
Polarizability
22.830645
Polar Surface Area
46.33
Rotatable Bonds
1
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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