Molecule

ID:39757

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉ClN₂O
Molecular Mass
254.75576
Exact Mass
254.11859092
Charge
0
InChI
InChI=1S/C13H19ClN2O/c1-13(2,9-14)12(17)15-10-5-7-11(8-6-10)16(3)4/h5-8H,9H2,1-4H3,(H,15,17)
InChIKey
AOGSQXNQWJNTPY-UHFFFAOYSA-N
Canonic Smiles
ClCC(C(=O)Nc1ccc(cc1)N(C)C)(C)C
Isomeric Smiles
C(=O)(C(CCl)(C)C)Nc1ccc(N(C)C)cc1
Calculated Properties
JChem
Acid pKa
15.3490095
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.139617
LogD (pH = 7.4)
3.1916516
Log P
3.192357
Molar Refractivity
73.8777
Polarizability
27.371643
Polar Surface Area
32.34
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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