[4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate

Formula:C20H13N4O6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate is not a drug-like molecule.

MolName	[4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
MolecularFormula	C20H13N4O6Cl
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C\c(cc1)ccc1OC(c1cccc(Cl)c1)=O)=O
InChI	InChI=1S/C20H13ClN4O6/c21-15-3-1-2-14(10-15)20(26)31-17-7-4-13(5-8-17)12-22-23-18-9-6-16(24(27)28)11-19(18)25(29)30/h1-12,23H
InChIK	WPCZIGKQEQNUID-UHFFFAOYSA-N
TotalMolweight	440.798
Molweight	440.798
MonoisotopicMass	440.052363
CLogP	5.0342
CLogS	-6.275
H Acceptors	10
H Donors	1
TotalSurfaceArea	319.51
Relative PSA	0.33442
PolarSurfaceArea	142.33
Druglikeness	-3.3011
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - [4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate | 2 - [4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate

Request More Details | [4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments