4-[[(E)-2-(furan-2-carbonylamino)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoate

Formula:C21H14N3O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[(E)-2-(furan-2-carbonylamino)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoate is a drug-like molecule.

MolName	4-[[(E)-2-(furan-2-carbonylamino)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoate
MolecularFormula	C21H14N3O7
Smiles	[O-]C(c(cc1)ccc1NC(/C(/NC(c1ccco1)=O)=C\c(cc1)ccc1[N+]([O-])=O)=O)=O
InChI	InChI=1S/C21H15N3O7/c25-19(22-15-7-5-14(6-8-15)21(27)28)17(23-20(26)18-2-1-11-31-18)12-13-3-9-16(10-4-13)24(29)30/h1-12H,(H,22,25)(H,23,26)(H,27,28)/p-1
InChIK	YQWGMVMGLFRKID-UHFFFAOYSA-M
TotalMolweight	420.356
Molweight	420.356
MonoisotopicMass	420.083177
CLogP	0.1
CLogS	-5.028
H Acceptors	10
H Donors	2
TotalSurfaceArea	314.55
Relative PSA	0.3842
PolarSurfaceArea	157.29
Druglikeness	-2.0002
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
Amides	2
AcidicOxygens	2
StereoCon

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