[2,2-dichloro-1-[[(E)-3-phenylprop-2-enoyl]amino]ethenyl]-triphenylphosphanium

Formula:C29H23NOCl2P Mutagenic:high Tumorigenic:low Reproductive Effective:high [2,2-dichloro-1-[[(E)-3-phenylprop-2-enoyl]amino]ethenyl]-triphenylphosphanium is not a drug-like molecule.

MolName	[2,2-dichloro-1-[[(E)-3-phenylprop-2-enoyl]amino]ethenyl]-triphenylphosphanium
MolecularFormula	C29H23NOCl2P
Smiles	O=C(/C=C/c1ccccc1)NC([P+](c1ccccc1)(c1ccccc1)c1ccccc1)=C(Cl)Cl
InChI	InChI=1S/C29H22Cl2NOP/c30-28(31)29(32-27(33)22-21-23-13-5-1-6-14-23)34(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H/p+1
InChIK	CEYMHCQYNJYOOO-UHFFFAOYSA-O
TotalMolweight	503.388
Molweight	503.388
MonoisotopicMass	502.08943
CLogP	8.5333
CLogS	-8.809
H Acceptors	2
H Donors	1
TotalSurfaceArea	375.51
Relative PSA	0.065245
PolarSurfaceArea	29.1
Druglikeness	-8.3178
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions	phosphonium; 1,1-dihalo-alkene
Shape Index	0.41176
Fragments	1
Non HAtoms	34
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	1
Symmetricatoms	17
Amides	1
StereoCon

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