N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide

Formula:C18H13N5O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide is a drug-like molecule.

MolName	N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
MolecularFormula	C18H13N5O5
Smiles	[O-][N+](c1c(/C=N\NC(c2cc(-c3ccccc3)n[nH]2)=O)cc2OCOc2c1)=O
InChI	InChI=1S/C18H13N5O5/c24-18(14-7-13(20-21-14)11-4-2-1-3-5-11)22-19-9-12-6-16-17(28-10-27-16)8-15(12)23(25)26/h1-9H,10H2,(H,20,21)(H,22,24)
InChIK	SWCPDYNIYCPBBC-UHFFFAOYSA-N
TotalMolweight	379.331
Molweight	379.331
MonoisotopicMass	379.09167
CLogP	2.0892
CLogS	-5.267
H Acceptors	10
H Donors	2
TotalSurfaceArea	279.01
Relative PSA	0.39923
PolarSurfaceArea	134.42
Druglikeness	0.415
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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