Molecule
ID:80104
General Information
Molecular Formula
C₂₁H₁₄ClNO₂
Molecular Mass
347.79436
Exact Mass
347.07130637
Charge
0
InChI
InChI=1S/C21H14ClNO2/c22-21(15-9-3-1-4-10-15)19(24)17-13-7-8-14-18(17)23(20(21)25)16-11-5-2-6-12-16/h1-14H
InChIKey
HTCLTGCKIYITMX-UHFFFAOYSA-N
Canonic Smiles
O=C1c2ccccc2N(C(=O)C1(Cl)c1ccccc1)c1ccccc1
Isomeric Smiles
N1(c2ccccc2)C(=O)C(c2ccccc2)(C(=O)c2ccccc12)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.846067
LogD (pH = 7.4)
4.846067
Log P
4.846067
Molar Refractivity
96.8842
Polarizability
37.35845
Polar Surface Area
37.38
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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