4-chloro-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-3-nitrobenzamide

Formula:C14H8N4O5Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-chloro-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-3-nitrobenzamide is a drug-like molecule.

MolName	4-chloro-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-3-nitrobenzamide
MolecularFormula	C14H8N4O5Cl2
Smiles	[O-][N+](c(cc1)cc(/C=N\NC(c(cc2)cc([N+]([O-])=O)c2Cl)=O)c1Cl)=O
InChI	InChI=1S/C14H8Cl2N4O5/c15-11-4-2-10(19(22)23)5-9(11)7-17-18-14(21)8-1-3-12(16)13(6-8)20(24)25/h1-7H,(H,18,21)
InChIK	NFUSOBKIMWMROM-UHFFFAOYSA-N
TotalMolweight	383.147
Molweight	383.147
MonoisotopicMass	381.987175
CLogP	2.5704
CLogS	-6.113
H Acceptors	9
H Donors	1
TotalSurfaceArea	265.17
Relative PSA	0.36524
PolarSurfaceArea	133.1
Druglikeness	-0.73119
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - 4-chloro-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-3-nitrobenzamide | 2 - 4-chloro-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-3-nitrobenzamide

Request More Details | 4-chloro-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-3-nitrobenzamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments