N-[(Z)-3-[(5-chloropyridin-2-yl)amino]-1-diphenylphosphoryl-3-oxo-1-phenylprop-1-en-2-yl]benzamide

Formula:C33H25N3O3ClP Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-3-[(5-chloropyridin-2-yl)amino]-1-diphenylphosphoryl-3-oxo-1-phenylprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(Z)-3-[(5-chloropyridin-2-yl)amino]-1-diphenylphosphoryl-3-oxo-1-phenylprop-1-en-2-yl]benzamide
MolecularFormula	C33H25N3O3ClP
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C(\c1ccccc1)/P(c1ccccc1)(c1ccccc1)=O)Nc(cc1)ncc1Cl
InChI	InChI=1S/C33H25ClN3O3P/c34-26-21-22-29(35-23-26)36-33(39)30(37-32(38)25-15-7-2-8-16-25)31(24-13-5-1-6-14-24)41(40,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-23H,(H,37,38)(H,35,36,39)
InChIK	ALEVWPVYDCXYJH-UHFFFAOYSA-N
TotalMolweight	578.007
Molweight	578.007
MonoisotopicMass	577.132206
CLogP	6.8874
CLogS	-7.115
H Acceptors	6
H Donors	2
TotalSurfaceArea	431.59
Relative PSA	0.17839
PolarSurfaceArea	97.97
Druglikeness	-9.3429
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.34146
Fragments	1
Non HAtoms	41
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	30
Sp3Atoms	1
Symmetricatoms	12
Amides	2
Aromatic Nitrogens	1
StereoCon

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