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C19H11N2O3ClS | Cheminformatics
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2-[(E)-2-[5-(4-chlorophenyl)furan-2-yl]ethenyl]-6-nitro-1,3-benzothiazole

Molecular Formula : C19H11N2O3ClS | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
2-[(E)-2-[5-(4-chlorophenyl)furan-2-yl]ethenyl]-6-nitro-1,3-benzothiazole is a drug-like molecule.

MolName : 2-[(E)-2-[5-(4-chlorophenyl)furan-2-yl]ethenyl]-6-nitro-1,3-benzothiazole

MolecularFormula : C19H11N2O3ClS

Smiles : [O-][N+](c(cc1)cc2c1nc(/C=C/c1ccc(-c(cc3)ccc3Cl)o1)s2)=O

InChI : InChI=1S/C19H11ClN2O3S/c20-13-3-1-12(2-4-13)17-9-6-15(25-17)7-10-19-21-16-8-5-14(22(23)24)11-18(16)26-19/h1-11H

InChIK : DEZSMVAXYMMCMH-UHFFFAOYSA-N

TotalMolweight : 382.826

Molweight : 382.826

MonoisotopicMass : 382.01789

CLogP : 4.4971

CLogS : -6.672

H Acceptors : 5

TotalSurfaceArea : 277.36

Relative PSA : 0.27351

PolarSurfaceArea : 100.09

Druglikeness : -2.6975

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.65385

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 4

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 4

Aromatic Atoms : 20

Sp3Atoms : 1

Symmetricatoms : 2

Aromatic Nitrogens : 1

AcidicOxygens : 1

StereoCon :

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1 - 2-[(E)-2-[5-(4-chlorophenyl)furan-2-yl]ethenyl]-6-nitro-1,3-benzothiazole
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