4-nitro-N-[3-[(E)-4-[3-[(4-nitrobenzoyl)amino]phenyl]but-1-en-3-ynyl]phenyl]benzamide

Formula:C30H20N4O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-nitro-N-[3-[(E)-4-[3-[(4-nitrobenzoyl)amino]phenyl]but-1-en-3-ynyl]phenyl]benzamide is not a drug-like molecule.

MolName	4-nitro-N-[3-[(E)-4-[3-[(4-nitrobenzoyl)amino]phenyl]but-1-en-3-ynyl]phenyl]benzamide
MolecularFormula	C30H20N4O6
Smiles	[O-][N+](c(cc1)ccc1C(Nc1cccc(/C=C/C#Cc2cccc(NC(c(cc3)ccc3[N+]([O-])=O)=O)c2)c1)=O)=O
InChI	InChI=1S/C30H20N4O6/c35-29(23-11-15-27(16-12-23)33(37)38)31-25-9-3-7-21(19-25)5-1-2-6-22-8-4-10-26(20-22)32-30(36)24-13-17-28(18-14-24)34(39)40/h1,3-5,7-20H,(H,31,35)(H,32,36)
InChIK	FMLBNCPVNNSVGE-UHFFFAOYSA-N
TotalMolweight	532.511
Molweight	532.511
MonoisotopicMass	532.138286
CLogP	4.9057
CLogS	-8.395
H Acceptors	10
H Donors	2
TotalSurfaceArea	414.6
Relative PSA	0.26493
PolarSurfaceArea	149.84
Druglikeness	-7.9852
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.65
Fragments	1
Non HAtoms	40
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	2
Symmetricatoms	4
Amides	2
AcidicOxygens	2
StereoCon

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