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C19H17N3O3Cl4 | Cheminformatics
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(1Z)-1-(2,2-dichloro-1-morpholin-4-ylethylidene)-3-[2-(2,4-dichlorophenoxy)phenyl]urea

Molecular Formula : C19H17N3O3Cl4 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : high |
(1Z)-1-(2,2-dichloro-1-morpholin-4-ylethylidene)-3-[2-(2,4-dichlorophenoxy)phenyl]urea is a drug-like molecule.

MolName : (1Z)-1-(2,2-dichloro-1-morpholin-4-ylethylidene)-3-[2-(2,4-dichlorophenoxy)phenyl]urea

MolecularFormula : C19H17N3O3Cl4

Smiles : O=C(Nc(cccc1)c1Oc(ccc(Cl)c1)c1Cl)/N=C(/C(Cl)Cl)\N1CCOCC1

InChI : InChI=1S/C19H17Cl4N3O3/c20-12-5-6-15(13(21)11-12)29-16-4-2-1-3-14(16)24-19(27)25-18(17(22)23)26-7-9-28-10-8-26/h1-6,11,17H,7-10H2,(H,24,27)

InChIK : HDXAEXPHEPAIDH-UHFFFAOYSA-N

TotalMolweight : 477.174

Molweight : 477.174

MonoisotopicMass : 475.0024

CLogP : 4.75

CLogS : -6.647

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 331.22

Relative PSA : 0.17982

PolarSurfaceArea : 63.16

Druglikeness : 2.2596

Mutagenic : high

Tumorigenic : high

Reproductive Effective : high

Irritant : high

Nasty Functions :

Shape Index : 0.55172

Fragments : 1

Non HAtoms : 29

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 7

Symmetricatoms : 3

Amides : 1

BasicNitrogens : 1

StereoCon :

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1 - (1Z)-1-(2,2-dichloro-1-morpholin-4-ylethylidene)-3-[2-(2,4-dichlorophenoxy)phenyl]urea
2 - (1Z)-1-(2,2-dichloro-1-morpholin-4-ylethylidene)-3-[2-(2,4-dichlorophenoxy)phenyl]urea
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