[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 3-nitrobenzoate

Formula:C15H12N3O4Cl Mutagenic:high Tumorigenic:high Reproductive Effective:high [(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 3-nitrobenzoate is a drug-like molecule.

MolName	[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 3-nitrobenzoate
MolecularFormula	C15H12N3O4Cl
Smiles	N/C(/Cc(cc1)ccc1Cl)=N/OC(c1cc([N+]([O-])=O)ccc1)=O
InChI	InChI=1S/C15H12ClN3O4/c16-12-6-4-10(5-7-12)8-14(17)18-23-15(20)11-2-1-3-13(9-11)19(21)22/h1-7,9H,8H2,(H2,17,18)
InChIK	YXONUVSRCDIHGI-UHFFFAOYSA-N
TotalMolweight	333.73
Molweight	333.73
MonoisotopicMass	333.051634
CLogP	2.7546
CLogS	-4.697
H Acceptors	7
H Donors	1
TotalSurfaceArea	245.11
Relative PSA	0.32736
PolarSurfaceArea	110.5
Druglikeness	-7.7515
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - [(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 3-nitrobenzoate | 2 - [(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 3-nitrobenzoate

Request More Details | [(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 3-nitrobenzoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments