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C19H14N3O4Cl | Cheminformatics
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N-[(Z)-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]-2-hydroxybenzamide

Molecular Formula : C19H14N3O4Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N-[(Z)-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]-2-hydroxybenzamide is a drug-like molecule.

MolName : N-[(Z)-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]-2-hydroxybenzamide

MolecularFormula : C19H14N3O4Cl

Smiles : Oc(cccc1)c1C(N/N=C\c(c(Cl)nc1c2)cc1cc1c2OCCO1)=O

InChI : InChI=1S/C19H14ClN3O4/c20-18-12(10-21-23-19(25)13-3-1-2-4-15(13)24)7-11-8-16-17(9-14(11)22-18)27-6-5-26-16/h1-4,7-10,24H,5-6H2,(H,23,25)

InChIK : TVMSRCYWIQWVQL-UHFFFAOYSA-N

TotalMolweight : 383.79

Molweight : 383.79

MonoisotopicMass : 383.067284

CLogP : 3.8541

CLogS : -4.812

H Acceptors : 7

H Donors : 2

TotalSurfaceArea : 276.14

Relative PSA : 0.29

PolarSurfaceArea : 93.04

Druglikeness : -2.8408

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde

Shape Index : 0.59259

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 3

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 16

Sp3Atoms : 5

Aromatic Nitrogens : 1

StereoCon :

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1 - N-[(Z)-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]-2-hydroxybenzamide
2 - N-[(Z)-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]-2-hydroxybenzamide
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