4-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione

Formula:C16H12N5O3ClS Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
MolecularFormula	C16H12N5O3ClS
Smiles	[O-][N+](c(cc(/C=N\N(C(COc1ccccc1)=NN1)C1=S)cc1)c1Cl)=O
InChI	InChI=1S/C16H12ClN5O3S/c17-13-7-6-11(8-14(13)22(23)24)9-18-21-15(19-20-16(21)26)10-25-12-4-2-1-3-5-12/h1-9H,10H2,(H,20,26)
InChIK	PPBZMOJWGRSPHC-UHFFFAOYSA-N
TotalMolweight	389.822
Molweight	389.822
MonoisotopicMass	389.034937
CLogP	2.5796
CLogS	-5.427
H Acceptors	8
H Donors	1
TotalSurfaceArea	284.57
Relative PSA	0.37407
PolarSurfaceArea	127.13
Druglikeness	-1.853
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 4-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione | 2 - 4-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione

Request More Details | 4-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments