[(E)-1-benzamido-3,3-bis[(4-chlorophenyl)sulfanyl]prop-1-enyl]-triphenylphosphanium

Formula:C40H31NOCl2PS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [(E)-1-benzamido-3,3-bis[(4-chlorophenyl)sulfanyl]prop-1-enyl]-triphenylphosphanium is not a drug-like molecule.

MolName	[(E)-1-benzamido-3,3-bis[(4-chlorophenyl)sulfanyl]prop-1-enyl]-triphenylphosphanium
MolecularFormula	C40H31NOCl2PS2
Smiles	O=C(c1ccccc1)N/C(/[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=C\C(Sc(cc1)ccc1Cl)Sc(cc1)ccc1Cl
InChI	InChI=1S/C40H30Cl2NOPS2/c41-31-21-25-36(26-22-31)46-39(47-37-27-23-32(42)24-28-37)29-38(43-40(44)30-13-5-1-6-14-30)45(33-15-7-2-8-16-33,34-17-9-3-10-18-34)35-19-11-4-12-20-35/h1-29,39H/p+1
InChIK	ALCIZPKPJFFNDC-UHFFFAOYSA-O
TotalMolweight	707.704
Molweight	707.704
MonoisotopicMass	706.09617
CLogP	11.881
CLogS	-12.294
H Acceptors	2
H Donors	1
TotalSurfaceArea	517.8
Relative PSA	0.11487
PolarSurfaceArea	79.7
Druglikeness	-5.9865
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	phosphonium
Shape Index	0.31915
Fragments	1
Non HAtoms	47
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	11
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	36
Sp3Atoms	4
Symmetricatoms	26
Amides	1
StereoCon

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