(E)-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-(3-nitrophenyl)prop-2-en-1-imine

Formula:C22H13N3O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-(3-nitrophenyl)prop-2-en-1-imine is a drug-like molecule.

MolName	(E)-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-(3-nitrophenyl)prop-2-en-1-imine
MolecularFormula	C22H13N3O3Cl2
Smiles	[O-][N+](c1cccc(/C=C/C=N/c(cc2)cc3c2oc(-c(ccc(Cl)c2)c2Cl)n3)c1)=O
InChI	InChI=1S/C22H13Cl2N3O3/c23-15-6-8-18(19(24)12-15)22-26-20-13-16(7-9-21(20)30-22)25-10-2-4-14-3-1-5-17(11-14)27(28)29/h1-13H
InChIK	PQMQLKQXFSQCGQ-UHFFFAOYSA-N
TotalMolweight	438.269
Molweight	438.269
MonoisotopicMass	437.033396
CLogP	4.9969
CLogS	-8.372
H Acceptors	6
TotalSurfaceArea	321.6
Relative PSA	0.20836
PolarSurfaceArea	84.21
Druglikeness	-4.9976
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (E)-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-(3-nitrophenyl)prop-2-en-1-imine | 2 - (E)-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-(3-nitrophenyl)prop-2-en-1-imine

Request More Details | (E)-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-(3-nitrophenyl)prop-2-en-1-imine

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments