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C18H11N4O5ClS | Cheminformatics
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(E)-3-(4-chloro-3-nitrophenyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide

Molecular Formula : C18H11N4O5ClS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-3-(4-chloro-3-nitrophenyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide is a drug-like molecule.

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

MolecularFormula : C18H11N4O5ClS

Smiles : [O-][N+](c1cccc(-c2csc(NC(/C=C/c(cc3)cc([N+]([O-])=O)c3Cl)=O)n2)c1)=O

InChI : InChI=1S/C18H11ClN4O5S/c19-14-6-4-11(8-16(14)23(27)28)5-7-17(24)21-18-20-15(10-29-18)12-2-1-3-13(9-12)22(25)26/h1-10H,(H,20,21,24)

InChIK : JCLWMGXEMQBNHY-UHFFFAOYSA-N

TotalMolweight : 430.827

Molweight : 430.827

MonoisotopicMass : 430.013868

CLogP : 3.2746

CLogS : -6.665

H Acceptors : 9

H Donors : 1

TotalSurfaceArea : 305.95

Relative PSA : 0.38134

PolarSurfaceArea : 161.87

Druglikeness : -3.6452

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.58621

Fragments : 1

Non HAtoms : 29

NonCHAtoms : 11

Electronegative Atoms : 11

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 2

Amides : 1

Aromatic Nitrogens : 1

AcidicOxygens : 2

StereoCon :

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