4-[(2Z)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]benzoate

Formula:C16H12N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(2Z)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]benzoate is a drug-like molecule.

MolName	4-[(2Z)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]benzoate
MolecularFormula	C16H12N3O4
Smiles	[O-]C(c(cc1)ccc1N/N=C\C=C\c(cccc1)c1[N+]([O-])=O)=O
InChI	InChI=1S/C16H13N3O4/c20-16(21)13-7-9-14(10-8-13)18-17-11-3-5-12-4-1-2-6-15(12)19(22)23/h1-11,18H,(H,20,21)/p-1
InChIK	RIQJRDLUIUGNFI-UHFFFAOYSA-M
TotalMolweight	310.288
Molweight	310.288
MonoisotopicMass	310.082782
CLogP	1.3467
CLogS	-3.914
H Acceptors	7
H Donors	1
TotalSurfaceArea	244.69
Relative PSA	0.32985
PolarSurfaceArea	110.34
Druglikeness	-2.9132
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - 4-[(2Z)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]benzoate | 2 - 4-[(2Z)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]benzoate

Request More Details | 4-[(2Z)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]benzoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments