Molecule

ID:123787

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅ClN₂O
Molecular Mass
238.7133
Exact Mass
238.08729079
Charge
0
InChI
InChI=1S/C12H15ClN2O/c13-10-6-5-8(7-11(10)14)12(16)15-9-3-1-2-4-9/h5-7,9H,1-4,14H2,(H,15,16)
InChIKey
ZANJJDXTYNFONJ-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(c(c1)N)Cl)NC1CCCC1
Isomeric Smiles
C(=O)(c1cc(c(cc1)Cl)N)NC1CCCC1
Calculated Properties
JChem
Acid pKa
14.985164
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.1772816
LogD (pH = 7.4)
2.1773815
Log P
2.1773827
Molar Refractivity
65.9515
Polarizability
24.665428
Polar Surface Area
55.12
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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