Molecule

ID:36086

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅ClN₂O
Molecular Mass
262.7347
Exact Mass
262.08729079
Charge
0
InChI
InChI=1S/C14H15ClN2O/c1-9-2-3-12-10(6-9)11-8-17(14(18)7-15)5-4-13(11)16-12/h2-3,6,16H,4-5,7-8H2,1H3
InChIKey
AYMOQCHEQIBRIR-UHFFFAOYSA-N
Canonic Smiles
Cc1cc2c3CN(CCc3[nH]c2cc1)C(=O)CCl
Isomeric Smiles
c1cc2c(cc1C)c1c([nH]2)CCN(C1)C(=O)CCl
Calculated Properties
JChem
Acid pKa
15.775933
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.0222523
LogD (pH = 7.4)
2.0222523
Log P
2.0222523
Molar Refractivity
73.0503
Polarizability
28.78982
Polar Surface Area
36.1
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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