4-[2-(3,5-dinitrobenzoyl)hydrazinyl]-N,N-bis(2-hydroxyethyl)benzamide

Formula:C18H19N5O8 Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[2-(3,5-dinitrobenzoyl)hydrazinyl]-N,N-bis(2-hydroxyethyl)benzamide is not a drug-like molecule.

MolName	4-[2-(3,5-dinitrobenzoyl)hydrazinyl]-N,N-bis(2-hydroxyethyl)benzamide
MolecularFormula	C18H19N5O8
Smiles	[O-][N+](c1cc(C(NNc(cc2)ccc2C(N(CCO)CCO)=O)=O)cc([N+]([O-])=O)c1)=O
InChI	InChI=1S/C18H19N5O8/c24-7-5-21(6-8-25)18(27)12-1-3-14(4-2-12)19-20-17(26)13-9-15(22(28)29)11-16(10-13)23(30)31/h1-4,9-11,19,24-25H,5-8H2,(H,20,26)
InChIK	SZSMHGQVNXLVJU-UHFFFAOYSA-N
TotalMolweight	433.376
Molweight	433.376
MonoisotopicMass	433.123365
CLogP	0.0782
CLogS	-2.887
H Acceptors	13
H Donors	4
TotalSurfaceArea	316.82
Relative PSA	0.4406
PolarSurfaceArea	193.54
Druglikeness	-0.67752
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions	aromatic nitro
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	10
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	10
Amides	1
AcidicOxygens	2
StereoCon

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