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

Formula:C35H30N2O2P Mutagenic:none Tumorigenic:none Reproductive Effective:none [(E)-2-benzamido-3-(benzylamino)-3-oxoprop-1-enyl]-triphenylphosphanium is not a drug-like molecule.

MolName	[(E)-2-benzamido-3-(benzylamino)-3-oxoprop-1-enyl]-triphenylphosphanium
MolecularFormula	C35H30N2O2P
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NCc1ccccc1
InChI	InChI=1S/C35H29N2O2P/c38-34(29-18-8-2-9-19-29)37-33(35(39)36-26-28-16-6-1-7-17-28)27-40(30-20-10-3-11-21-30,31-22-12-4-13-23-31)32-24-14-5-15-25-32/h1-25,27H,26H2,(H-,36,37,38,39)/p+1
InChIK	NIDWLOLHCSDPBS-UHFFFAOYSA-O
TotalMolweight	541.609
Molweight	541.609
MonoisotopicMass	541.20449
CLogP	7.1687
CLogS	-8.096
H Acceptors	4
H Donors	2
TotalSurfaceArea	422.69
Relative PSA	0.11592
PolarSurfaceArea	58.2
Druglikeness	-5.1635
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	phosphonium
Shape Index	0.35
Fragments	1
Non HAtoms	40
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	30
Sp3Atoms	2
Symmetricatoms	18
Amides	2
StereoCon

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