N-[(1S)-2-[2-[1-(4-nitrophenyl)ethenyl]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide

Formula:C25H20N6O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(1S)-2-[2-[1-(4-nitrophenyl)ethenyl]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide is not a drug-like molecule.

MolName	N-[(1S)-2-[2-[1-(4-nitrophenyl)ethenyl]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
MolecularFormula	C25H20N6O5
Smiles	C=C(c(cc1)ccc1[N+]([O-])=O)NNC([C@H](C(c1c2cccc1)=NNC2=O)NC(c1ccccc1)=O)=O
InChI	InChI=1S/C25H20N6O5/c1-15(16-11-13-18(14-12-16)31(35)36)27-30-25(34)22(26-23(32)17-7-3-2-4-8-17)21-19-9-5-6-10-20(19)24(33)29-28-21/h2-14,22,27H,1H2,(H,26,32)(H,29,33)(H,30,34)/t22-/m0/s1
InChIK	BPGBZTTZMBWVLO-QFIPXVFZSA-N
TotalMolweight	484.471
Molweight	484.471
MonoisotopicMass	484.149519
CLogP	1.1402
CLogS	-6.251
H Acceptors	11
H Donors	4
TotalSurfaceArea	360.26
Relative PSA	0.35222
PolarSurfaceArea	157.51
Druglikeness	-1.7743
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.47222
Fragments	1
Non HAtoms	36
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	1
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon	this enantiomer

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1 - N-[(1S)-2-[2-[1-(4-nitrophenyl)ethenyl]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide | 2 - N-[(1S)-2-[2-[1-(4-nitrophenyl)ethenyl]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide

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