(E)-1-[2,4-bis(phenylmethoxy)phenyl]-3-(3-nitrophenyl)prop-2-en-1-one

Formula:C29H23NO5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[2,4-bis(phenylmethoxy)phenyl]-3-(3-nitrophenyl)prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-[2,4-bis(phenylmethoxy)phenyl]-3-(3-nitrophenyl)prop-2-en-1-one
MolecularFormula	C29H23NO5
Smiles	[O-][N+](c1cc(/C=C/C(c(ccc(OCc2ccccc2)c2)c2OCc2ccccc2)=O)ccc1)=O
InChI	InChI=1S/C29H23NO5/c31-28(17-14-22-12-7-13-25(18-22)30(32)33)27-16-15-26(34-20-23-8-3-1-4-9-23)19-29(27)35-21-24-10-5-2-6-11-24/h1-19H,20-21H2
InChIK	LZGBTXMMHNNCIV-UHFFFAOYSA-N
TotalMolweight	465.504
Molweight	465.504
MonoisotopicMass	465.157624
CLogP	5.0784
CLogS	-6.982
H Acceptors	6
TotalSurfaceArea	367.98
Relative PSA	0.17246
PolarSurfaceArea	81.35
Druglikeness	-5.2057
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	10
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	5
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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