5-bromo-N-[(E)-3-hydrazinyl-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

Formula:C14H11N4O5Br Mutagenic:none Tumorigenic:high Reproductive Effective:none 5-bromo-N-[(E)-3-hydrazinyl-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is a drug-like molecule.

MolName	5-bromo-N-[(E)-3-hydrazinyl-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
MolecularFormula	C14H11N4O5Br
Smiles	NNC(/C(/NC(c(o1)ccc1Br)=O)=C\c1cc([N+]([O-])=O)ccc1)=O
InChI	InChI=1S/C14H11BrN4O5/c15-12-5-4-11(24-12)14(21)17-10(13(20)18-16)7-8-2-1-3-9(6-8)19(22)23/h1-7H,16H2,(H,17,21)(H,18,20)
InChIK	KBMHYOHSEJXGME-UHFFFAOYSA-N
TotalMolweight	395.168
Molweight	395.168
MonoisotopicMass	393.991282
CLogP	0.6892
CLogS	-4.466
H Acceptors	9
H Donors	3
TotalSurfaceArea	256.66
Relative PSA	0.42391
PolarSurfaceArea	143.18
Druglikeness	-10.03
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; hydrazine
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Amides	1
AcidicOxygens	1
StereoCon

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