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

MolecularFormula : C19H13N4O5Cl

Smiles : [O-][N+](c(cc1)ccc1C(N/N=C\c(c(Cl)nc1c2)cc1cc1c2OCCO1)=O)=O

InChI : InChI=1S/C19H13ClN4O5/c20-18-13(7-12-8-16-17(9-15(12)22-18)29-6-5-28-16)10-21-23-19(25)11-1-3-14(4-2-11)24(26)27/h1-4,7-10H,5-6H2,(H,23,25)

InChIK : AYAGFJJDOCUYBC-UHFFFAOYSA-N

TotalMolweight : 412.788

Molweight : 412.788

MonoisotopicMass : 412.057448

CLogP : 3.2782

CLogS : -5.568

H Acceptors : 9

H Donors : 1

TotalSurfaceArea : 293.46

Relative PSA : 0.3319

PolarSurfaceArea : 118.63

Druglikeness : -7.9522

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.62069

Fragments : 1

Non HAtoms : 29

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 4

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 16

Sp3Atoms : 5

Symmetricatoms : 2

Aromatic Nitrogens : 1

AcidicOxygens : 1

StereoCon :