[(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 2-chloro-4-nitrobenzoate

Formula:C15H10N3O4Cl3 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 2-chloro-4-nitrobenzoate is a drug-like molecule.

MolName	[(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 2-chloro-4-nitrobenzoate
MolecularFormula	C15H10N3O4Cl3
Smiles	N/C(/Cc(ccc(Cl)c1)c1Cl)=N/OC(c(ccc([N+]([O-])=O)c1)c1Cl)=O
InChI	InChI=1S/C15H10Cl3N3O4/c16-9-2-1-8(12(17)6-9)5-14(19)20-25-15(22)11-4-3-10(21(23)24)7-13(11)18/h1-4,6-7H,5H2,(H2,19,20)
InChIK	SZMBIVLRQPGWNH-UHFFFAOYSA-N
TotalMolweight	402.62
Molweight	402.62
MonoisotopicMass	400.973688
CLogP	3.9666
CLogS	-6.169
H Acceptors	7
H Donors	1
TotalSurfaceArea	275.95
Relative PSA	0.29078
PolarSurfaceArea	110.5
Druglikeness	-7.7515
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - [(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 2-chloro-4-nitrobenzoate | 2 - [(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 2-chloro-4-nitrobenzoate

Request More Details | [(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 2-chloro-4-nitrobenzoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments