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

Formula:C34H29N3O2P Mutagenic:none Tumorigenic:none Reproductive Effective:none [(E)-3-(2-aminoanilino)-2-benzamido-3-oxoprop-1-enyl]-triphenylphosphanium is not a drug-like molecule.

MolName	[(E)-3-(2-aminoanilino)-2-benzamido-3-oxoprop-1-enyl]-triphenylphosphanium
MolecularFormula	C34H29N3O2P
Smiles	Nc(cccc1)c1NC(/C(/NC(c1ccccc1)=O)=C\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=O
InChI	InChI=1S/C34H28N3O2P/c35-30-23-13-14-24-31(30)36-34(39)32(37-33(38)26-15-5-1-6-16-26)25-40(27-17-7-2-8-18-27,28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-25H,35H2,(H-,36,37,38,39)/p+1
InChIK	SECIBPJASLOJGJ-UHFFFAOYSA-O
TotalMolweight	542.597
Molweight	542.597
MonoisotopicMass	542.199739
CLogP	6.782
CLogS	-8.356
H Acceptors	5
H Donors	3
TotalSurfaceArea	417.45
Relative PSA	0.15396
PolarSurfaceArea	84.22
Druglikeness	-5.6221
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	1,2-diamino-aryl; phosphonium
Shape Index	0.325
Fragments	1
Non HAtoms	40
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	30
Sp3Atoms	1
Symmetricatoms	16
Amides	2
Amines	1
Aromatic Amines	1
StereoCon

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