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

MolecularFormula : C18H13N4O3Cl

Smiles : O=C(c1ccncc1)N/N=C\c(c(Cl)nc1c2)cc1cc1c2OCCO1

InChI : InChI=1S/C18H13ClN4O3/c19-17-13(10-21-23-18(24)11-1-3-20-4-2-11)7-12-8-15-16(9-14(12)22-17)26-6-5-25-15/h1-4,7-10H,5-6H2,(H,23,24)

InChIK : QXDHPFIQRPSOST-UHFFFAOYSA-N

TotalMolweight : 368.779

Molweight : 368.779

MonoisotopicMass : 368.067618

CLogP : 3.1989

CLogS : -4.313

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 268.55

Relative PSA : 0.29026

PolarSurfaceArea : 85.7

Druglikeness : -2.8286

Mutagenic : none

Tumorigenic : high

Reproductive Effective : high

Irritant : none

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

Shape Index : 0.61538

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 3

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 16

Sp3Atoms : 4

Symmetricatoms : 2

Aromatic Nitrogens : 2

StereoCon :