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C16H10N4O2Cl2S | Cheminformatics
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N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-(3-nitrophenyl)-1,3-thiazol-2-amine

Molecular Formula : C16H10N4O2Cl2S | Mutagenic : none | Tumorigenic : high | Reproductive Effective : low |
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-(3-nitrophenyl)-1,3-thiazol-2-amine is not a drug-like molecule.

MolName : N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-(3-nitrophenyl)-1,3-thiazol-2-amine

MolecularFormula : C16H10N4O2Cl2S

Smiles : [O-][N+](c1cccc(-c2csc(N/N=C/c(c(Cl)ccc3)c3Cl)n2)c1)=O

InChI : InChI=1S/C16H10Cl2N4O2S/c17-13-5-2-6-14(18)12(13)8-19-21-16-20-15(9-25-16)10-3-1-4-11(7-10)22(23)24/h1-9H,(H,20,21)

InChIK : YXDXQODZDKBBTD-UHFFFAOYSA-N

TotalMolweight : 393.253

Molweight : 393.253

MonoisotopicMass : 391.99015

CLogP : 6.3364

CLogS : -6.592

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 278.21

Relative PSA : 0.30452

PolarSurfaceArea : 111.34

Druglikeness : -1.2517

Mutagenic : none

Tumorigenic : high

Reproductive Effective : low

Irritant : none

Nasty Functions : aromatic nitro; imine/hydrazone of aldehyde

Shape Index : 0.6

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 1

Symmetricatoms : 3

Aromatic Nitrogens : 1

BasicNitrogens : 1

AcidicOxygens : 1

StereoCon :

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