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

Formula:C18H16N7O4FS Mutagenic:none Tumorigenic:none Reproductive Effective:none N'-[2-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-nitrobenzohydrazide is not a drug-like molecule.

MolName	N'-[2-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-nitrobenzohydrazide
MolecularFormula	C18H16N7O4FS
Smiles	Nn1c(SCC(NNC(c(cc2)ccc2[N+]([O-])=O)=O)=O)nnc1Cc(cccc1)c1F
InChI	InChI=1S/C18H16FN7O4S/c19-14-4-2-1-3-12(14)9-15-21-24-18(25(15)20)31-10-16(27)22-23-17(28)11-5-7-13(8-6-11)26(29)30/h1-8H,9-10,20H2,(H,22,27)(H,23,28)
InChIK	YNBDWSCOQBHGSL-UHFFFAOYSA-N
TotalMolweight	445.434
Molweight	445.434
MonoisotopicMass	445.096851
CLogP	0.7495
CLogS	-6.724
H Acceptors	11
H Donors	3
TotalSurfaceArea	321.47
Relative PSA	0.43858
PolarSurfaceArea	186.05
Druglikeness	-4.7807
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64516
Fragments	1
Non HAtoms	31
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	2
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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

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