N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

Formula:C21H15N5O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is a drug-like molecule.

MolName	N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
MolecularFormula	C21H15N5O5
Smiles	[O-][N+](c(cc1)ccc1-c1ccc(/C=N\NC(CC(c2c3cccc2)=NNC3=O)=O)o1)=O
InChI	InChI=1S/C21H15N5O5/c27-20(11-18-16-3-1-2-4-17(16)21(28)25-23-18)24-22-12-15-9-10-19(31-15)13-5-7-14(8-6-13)26(29)30/h1-10,12H,11H2,(H,24,27)(H,25,28)
InChIK	LFLGVEOVGXEPLR-UHFFFAOYSA-N
TotalMolweight	417.38
Molweight	417.38
MonoisotopicMass	417.10732
CLogP	2.718
CLogS	-6.752
H Acceptors	10
H Donors	2
TotalSurfaceArea	312.55
Relative PSA	0.3729
PolarSurfaceArea	141.88
Druglikeness	1.7452
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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