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C36H30N4O2 | Cheminformatics

N-[(Z)-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide

Molecular Formula : C36H30N4O2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : N-[(Z)-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide

MolecularFormula : C36H30N4O2

Smiles : O=C(c1ccc(COc(cccc2)c2-c2ccccc2)cc1)N/N=C\c(cc1)ccc1N(CC1)N=C1c1ccccc1

InChI : InChI=1S/C36H30N4O2/c41-36(31-19-15-28(16-20-31)26-42-35-14-8-7-13-33(35)29-9-3-1-4-10-29)38-37-25-27-17-21-32(22-18-27)40-24-23-34(39-40)30-11-5-2-6-12-30/h1-22,25H,23-24,26H2,(H,38,41)

InChIK : MCGFHXVZUOXSBK-UHFFFAOYSA-N

TotalMolweight : 550.66

Molweight : 550.66

MonoisotopicMass : 550.236876

CLogP : 8.1551

CLogS : -8.987

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 437.32

Relative PSA : 0.13965

PolarSurfaceArea : 66.29

Druglikeness : 6.0955

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.64286

Fragments : 1

Non HAtoms : 42

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 9

Rings Closures : 6

Small Rings : 6

Aromatic Rings : 5

Aromatic Atoms : 30

Sp3Atoms : 4

Symmetricatoms : 8

StereoCon :

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