(E)-N-[3-nitro-5-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)phenyl]-3-phenylprop-2-enamide

Formula:C27H22N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[3-nitro-5-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)phenyl]-3-phenylprop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[3-nitro-5-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)phenyl]-3-phenylprop-2-enamide
MolecularFormula	C27H22N2O5
Smiles	[O-][N+](c1cc(Oc(cc2)cc3c2oc2c3CCCC2)cc(NC(/C=C/c2ccccc2)=O)c1)=O
InChI	InChI=1S/C27H22N2O5/c30-27(13-10-18-6-2-1-3-7-18)28-19-14-20(29(31)32)16-22(15-19)33-21-11-12-26-24(17-21)23-8-4-5-9-25(23)34-26/h1-3,6-7,10-17H,4-5,8-9H2,(H,28,30)
InChIK	UTXLMOGCGRHKAZ-UHFFFAOYSA-N
TotalMolweight	454.481
Molweight	454.481
MonoisotopicMass	454.152873
CLogP	5.2727
CLogS	-8.53
H Acceptors	7
H Donors	1
TotalSurfaceArea	347.99
Relative PSA	0.2271
PolarSurfaceArea	97.29
Druglikeness	-10.037
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	6
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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1 - (E)-N-[3-nitro-5-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)phenyl]-3-phenylprop-2-enamide | 2 - (E)-N-[3-nitro-5-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)phenyl]-3-phenylprop-2-enamide

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