[(E)-2-benzamido-3-(naphthalen-1-ylamino)-3-oxoprop-1-enyl]-triphenylphosphanium

Formula:C38H30N2O2P Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-2-benzamido-3-(naphthalen-1-ylamino)-3-oxoprop-1-enyl]-triphenylphosphanium is not a drug-like molecule.

MolName	[(E)-2-benzamido-3-(naphthalen-1-ylamino)-3-oxoprop-1-enyl]-triphenylphosphanium
MolecularFormula	C38H30N2O2P
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Nc1cccc2ccccc12
InChI	InChI=1S/C38H29N2O2P/c41-37(30-17-5-1-6-18-30)40-36(38(42)39-35-27-15-19-29-16-13-14-26-34(29)35)28-43(31-20-7-2-8-21-31,32-22-9-3-10-23-32)33-24-11-4-12-25-33/h1-28H,(H-,39,40,41,42)/p+1
InChIK	UNHPIAULWNIMDD-UHFFFAOYSA-O
TotalMolweight	577.642
Molweight	577.642
MonoisotopicMass	577.20449
CLogP	8.6537
CLogS	-9.886
H Acceptors	4
H Donors	2
TotalSurfaceArea	443.53
Relative PSA	0.11048
PolarSurfaceArea	58.2
Druglikeness	-5.5878
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	phosphonium
Shape Index	0.32558
Fragments	1
Non HAtoms	43
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	8
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	34
Sp3Atoms	1
Symmetricatoms	16
Amides	2
StereoCon

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