4-[(E)-2-[2-(difluoromethoxy)-5-nitrophenyl]ethenyl]-1,5-dihydro-1,5-benzodiazepin-2-one

Formula:C18H13N3O4F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(E)-2-[2-(difluoromethoxy)-5-nitrophenyl]ethenyl]-1,5-dihydro-1,5-benzodiazepin-2-one is a drug-like molecule.

MolName	4-[(E)-2-[2-(difluoromethoxy)-5-nitrophenyl]ethenyl]-1,5-dihydro-1,5-benzodiazepin-2-one
MolecularFormula	C18H13N3O4F2
Smiles	[O-][N+](c(cc1)cc(/C=C/C(Nc(cccc2)c2N2)=CC2=O)c1OC(F)F)=O
InChI	InChI=1S/C18H13F2N3O4/c19-18(20)27-16-8-7-13(23(25)26)9-11(16)5-6-12-10-17(24)22-15-4-2-1-3-14(15)21-12/h1-10,18,21H,(H,22,24)
InChIK	UFWMSNBJODNZJE-UHFFFAOYSA-N
TotalMolweight	373.314
Molweight	373.314
MonoisotopicMass	373.087413
CLogP	1.736
CLogS	-5.236
H Acceptors	7
H Donors	2
TotalSurfaceArea	270.27
Relative PSA	0.28261
PolarSurfaceArea	96.18
Druglikeness	-7.8269
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48148
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	1
Amides	1
AcidicOxygens	1
StereoCon

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