2-[(Z)-[[2-(4-bromo-2-cyanophenoxy)acetyl]hydrazinylidene]methyl]-4,6-dinitrophenolate

Formula:C16H9N5O7Br Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[(Z)-[[2-(4-bromo-2-cyanophenoxy)acetyl]hydrazinylidene]methyl]-4,6-dinitrophenolate is not a drug-like molecule.

MolName	2-[(Z)-[[2-(4-bromo-2-cyanophenoxy)acetyl]hydrazinylidene]methyl]-4,6-dinitrophenolate
MolecularFormula	C16H9N5O7Br
Smiles	N#Cc(cc(cc1)Br)c1OCC(N/N=C\c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)c1[O-])=O
InChI	InChI=1S/C16H10BrN5O7/c17-11-1-2-14(9(3-11)6-18)29-8-15(23)20-19-7-10-4-12(21(25)26)5-13(16(10)24)22(27)28/h1-5,7,24H,8H2,(H,20,23)/p-1
InChIK	KLKISRUTAJNOCB-UHFFFAOYSA-M
TotalMolweight	463.179
Molweight	463.179
MonoisotopicMass	461.968536
CLogP	-0.4296
CLogS	-5.732
H Acceptors	12
H Donors	1
TotalSurfaceArea	305.96
Relative PSA	0.44022
PolarSurfaceArea	189.18
Druglikeness	-7.0038
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
AcidicOxygens	2
StereoCon

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1 - 2-[(Z)-[[2-(4-bromo-2-cyanophenoxy)acetyl]hydrazinylidene]methyl]-4,6-dinitrophenolate | 2 - 2-[(Z)-[[2-(4-bromo-2-cyanophenoxy)acetyl]hydrazinylidene]methyl]-4,6-dinitrophenolate

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