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C18H11N3O3Cl2S | Cheminformatics
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(E)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide

Molecular Formula : C18H11N3O3Cl2S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName : (E)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide

MolecularFormula : C18H11N3O3Cl2S

Smiles : [O-][N+](c1cccc(/C=C/C(Nc2nc(-c(cc3)cc(Cl)c3Cl)cs2)=O)c1)=O

InChI : InChI=1S/C18H11Cl2N3O3S/c19-14-6-5-12(9-15(14)20)16-10-27-18(21-16)22-17(24)7-4-11-2-1-3-13(8-11)23(25)26/h1-10H,(H,21,22,24)

InChIK : HZHRORCJRYJTOV-UHFFFAOYSA-N

TotalMolweight : 420.275

Molweight : 420.275

MonoisotopicMass : 418.989816

CLogP : 4.8022

CLogS : -6.941

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 297.7

Relative PSA : 0.28972

PolarSurfaceArea : 116.05

Druglikeness : -3.6452

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro; limit! thiazol-2-ylamine

Shape Index : 0.62963

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 1

Amides : 1

Aromatic Nitrogens : 1

AcidicOxygens : 1

StereoCon :

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