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C20H20N3O5Br | Cheminformatics
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N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-4-hydroxybenzamide

Molecular Formula : C20H20N3O5Br | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-4-hydroxybenzamide is a drug-like molecule.

MolName : N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-4-hydroxybenzamide

MolecularFormula : C20H20N3O5Br

Smiles : Oc(cc1)ccc1C(N/N=C\c(cc1)cc(Br)c1OCC(N1CCOCC1)=O)=O

InChI : InChI=1S/C20H20BrN3O5/c21-17-11-14(12-22-23-20(27)15-2-4-16(25)5-3-15)1-6-18(17)29-13-19(26)24-7-9-28-10-8-24/h1-6,11-12,25H,7-10,13H2,(H,23,27)

InChIK : RHFDABXTRMVTHD-UHFFFAOYSA-N

TotalMolweight : 462.299

Molweight : 462.299

MonoisotopicMass : 461.058633

CLogP : 2.8303

CLogS : -3.749

H Acceptors : 8

H Donors : 2

TotalSurfaceArea : 315.32

Relative PSA : 0.27179

PolarSurfaceArea : 100.46

Druglikeness : 4.2303

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.68966

Fragments : 1

Non HAtoms : 29

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 8

Symmetricatoms : 4

Amides : 1

StereoCon :

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1 - N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-4-hydroxybenzamide
2 - N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-4-hydroxybenzamide
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