Molecule

ID:19679

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅ClN₂O
Molecular Mass
262.7347
Exact Mass
262.08729079
Charge
0
InChI
InChI=1S/C14H15ClN2O/c1-17(2)11-4-3-5-12(9-11)18-14-7-6-10(15)8-13(14)16/h3-9H,16H2,1-2H3
InChIKey
BOVHGUOBSFDJAP-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)N)Oc1cccc(c1)N(C)C
Isomeric Smiles
c1(c(cc(cc1)Cl)N)Oc1cc(N(C)C)ccc1
Calculated Properties
JChem
Acid pKa
19.755766
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.3493626
LogD (pH = 7.4)
3.3566024
Log P
3.3566957
Molar Refractivity
76.2326
Polarizability
28.475433
Polar Surface Area
38.49
Rotatable Bonds
3
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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