3-[2-[(2Z)-2-benzylidenehydrazinyl]-1,3-thiazol-5-yl]-6-nitrochromen-2-one

Formula:C19H12N4O4S Mutagenic:none Tumorigenic:high Reproductive Effective:low 3-[2-[(2Z)-2-benzylidenehydrazinyl]-1,3-thiazol-5-yl]-6-nitrochromen-2-one is a drug-like molecule.

MolName	3-[2-[(2Z)-2-benzylidenehydrazinyl]-1,3-thiazol-5-yl]-6-nitrochromen-2-one
MolecularFormula	C19H12N4O4S
Smiles	[O-][N+](c(cc1)cc(C=C2c3cnc(N/N=C\c4ccccc4)s3)c1OC2=O)=O
InChI	InChI=1S/C19H12N4O4S/c24-18-15(9-13-8-14(23(25)26)6-7-16(13)27-18)17-11-20-19(28-17)22-21-10-12-4-2-1-3-5-12/h1-11H,(H,20,22)
InChIK	VLCZYRAHRNTKCR-UHFFFAOYSA-N
TotalMolweight	392.394
Molweight	392.394
MonoisotopicMass	392.057926
CLogP	4.5494
CLogS	-5.163
H Acceptors	8
H Donors	1
TotalSurfaceArea	286.33
Relative PSA	0.37635
PolarSurfaceArea	137.64
Druglikeness	-1.1622
Mutagenic	none
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 3-[2-[(2Z)-2-benzylidenehydrazinyl]-1,3-thiazol-5-yl]-6-nitrochromen-2-one | 2 - 3-[2-[(2Z)-2-benzylidenehydrazinyl]-1,3-thiazol-5-yl]-6-nitrochromen-2-one

Request More Details | 3-[2-[(2Z)-2-benzylidenehydrazinyl]-1,3-thiazol-5-yl]-6-nitrochromen-2-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments