Molecule

ID:48555

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅ClN₂O
Molecular Mass
274.7454
Exact Mass
274.08729079
Charge
0
InChI
InChI=1S/C15H15ClN2O/c1-2-18(11-12-7-4-3-5-8-12)15(19)13-9-6-10-17-14(13)16/h3-10H,2,11H2,1H3
InChIKey
ATTSXMRXCFWYSL-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)c1cccnc1Cl)Cc1ccccc1
Isomeric Smiles
C(=O)(c1c(nccc1)Cl)N(Cc1ccccc1)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9590673
LogD (pH = 7.4)
2.9590688
Log P
2.9590688
Molar Refractivity
78.0002
Polarizability
29.323853
Polar Surface Area
33.2
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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