4-bromo-N-[(Z)-3-hydrazinyl-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide

Formula:C16H13N4O4Br Mutagenic:none Tumorigenic:high Reproductive Effective:none 4-bromo-N-[(Z)-3-hydrazinyl-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	4-bromo-N-[(Z)-3-hydrazinyl-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C16H13N4O4Br
Smiles	NNC(/C(/NC(c(cc1)ccc1Br)=O)=C/c(cc1)ccc1[N+]([O-])=O)=O
InChI	InChI=1S/C16H13BrN4O4/c17-12-5-3-11(4-6-12)15(22)19-14(16(23)20-18)9-10-1-7-13(8-2-10)21(24)25/h1-9H,18H2,(H,19,22)(H,20,23)
InChIK	LTZFDTSFCCDTHS-UHFFFAOYSA-N
TotalMolweight	405.207
Molweight	405.207
MonoisotopicMass	404.012017
CLogP	1.4031
CLogS	-5.021
H Acceptors	8
H Donors	3
TotalSurfaceArea	266.97
Relative PSA	0.35468
PolarSurfaceArea	130.04
Druglikeness	-9.6478
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; hydrazine
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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