Molecule

ID:123784

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇ClN₂O
Molecular Mass
276.76128
Exact Mass
276.10294085
Charge
0
InChI
InChI=1S/C15H16N2O.ClH/c1-17(11-12-7-3-2-4-8-12)15(18)13-9-5-6-10-14(13)16;/h2-10H,11,16H2,1H3;1H
InChIKey
UFSJLAMWYLNNHU-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1C(=O)N(Cc1ccccc1)C.Cl
Isomeric Smiles
C(=O)(c1c(N)cccc1)N(Cc1ccccc1)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8158336
LogD (pH = 7.4)
2.8167734
Log P
2.8167853
Molar Refractivity
74.2428
Polarizability
27.58571
Polar Surface Area
46.33
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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