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MolName : N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]quinolin-2-amine

MolecularFormula : C27H21N5O2

Smiles : C1Oc(ccc(-c(c(/C=N\Nc2nc3ccccc3cc2)c2)nn2-c2ccccc2)c2)c2OC1

InChI : InChI=1S/C27H21N5O2/c1-2-7-22(8-3-1)32-18-21(17-28-30-26-13-11-19-6-4-5-9-23(19)29-26)27(31-32)20-10-12-24-25(16-20)34-15-14-33-24/h1-13,16-18H,14-15H2,(H,29,30)

InChIK : KDBIWDAQOAZFGK-UHFFFAOYSA-N

TotalMolweight : 447.497

Molweight : 447.497

MonoisotopicMass : 447.169525

CLogP : 6.4061

CLogS : -6.075

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 344.1

Relative PSA : 0.2086

PolarSurfaceArea : 73.56

Druglikeness : -3.3594

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.5

Fragments : 1

Non HAtoms : 34

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 5

Rings Closures : 6

Small Rings : 6

Aromatic Rings : 5

Aromatic Atoms : 27

Sp3Atoms : 4

Symmetricatoms : 2

Aromatic Nitrogens : 3

BasicNitrogens : 1

StereoCon :