N'-[2-[[4-amino-5-[4-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-nitrobenzohydrazide

Formula:C18H15N7O5F2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N'-[2-[[4-amino-5-[4-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-nitrobenzohydrazide is not a drug-like molecule.

MolName	N'-[2-[[4-amino-5-[4-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-nitrobenzohydrazide
MolecularFormula	C18H15N7O5F2S
Smiles	Nn1c(SCC(NNC(c(cc2)ccc2[N+]([O-])=O)=O)=O)nnc1-c(cc1)ccc1OC(F)F
InChI	InChI=1S/C18H15F2N7O5S/c19-17(20)32-13-7-3-10(4-8-13)15-23-25-18(26(15)21)33-9-14(28)22-24-16(29)11-1-5-12(6-2-11)27(30)31/h1-8,17H,9,21H2,(H,22,28)(H,24,29)
InChIK	AVSNEXXSMKZSSZ-UHFFFAOYSA-N
TotalMolweight	479.423
Molweight	479.423
MonoisotopicMass	479.082344
CLogP	0.7557
CLogS	-8.182
H Acceptors	12
H Donors	3
TotalSurfaceArea	336.56
Relative PSA	0.44863
PolarSurfaceArea	195.28
Druglikeness	-6.3546
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.66667
Fragments	1
Non HAtoms	33
NonCHAtoms	15
Electronegative Atoms	15
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	5
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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1 - N'-[2-[[4-amino-5-[4-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-nitrobenzohydrazide | 2 - N'-[2-[[4-amino-5-[4-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-nitrobenzohydrazide

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