N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

Formula:C21H15N3O7 Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is a drug-like molecule.

MolName	N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
MolecularFormula	C21H15N3O7
Smiles	[O-][N+](c(cc1)ccc1NC(/C(/NC(c1ccco1)=O)=C\c(cc1)cc2c1OCO2)=O)=O
InChI	InChI=1S/C21H15N3O7/c25-20(22-14-4-6-15(7-5-14)24(27)28)16(23-21(26)18-2-1-9-29-18)10-13-3-8-17-19(11-13)31-12-30-17/h1-11H,12H2,(H,22,25)(H,23,26)
InChIK	PZTNAKQOHOPMHQ-UHFFFAOYSA-N
TotalMolweight	421.364
Molweight	421.364
MonoisotopicMass	421.091002
CLogP	2.8023
CLogS	-5.726
H Acceptors	10
H Donors	2
TotalSurfaceArea	309.53
Relative PSA	0.36678
PolarSurfaceArea	135.62
Druglikeness	-2.1897
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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