[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 4-cyanobenzoate

Formula:C17H12N4O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 4-cyanobenzoate is a drug-like molecule.

MolName	[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 4-cyanobenzoate
MolecularFormula	C17H12N4O6
Smiles	N#Cc(cc1)ccc1C(OCC(NNC(c(cc1)ccc1[N+]([O-])=O)=O)=O)=O
InChI	InChI=1S/C17H12N4O6/c18-9-11-1-3-13(4-2-11)17(24)27-10-15(22)19-20-16(23)12-5-7-14(8-6-12)21(25)26/h1-8H,10H2,(H,19,22)(H,20,23)
InChIK	QSHIMLYKHIZOLU-UHFFFAOYSA-N
TotalMolweight	368.304
Molweight	368.304
MonoisotopicMass	368.075686
CLogP	0.0895
CLogS	-4.446
H Acceptors	10
H Donors	2
TotalSurfaceArea	278.33
Relative PSA	0.41684
PolarSurfaceArea	154.11
Druglikeness	-6.5266
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.7037
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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