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C22H22N5O3Cl | Cheminformatics
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1-(4-chlorophenyl)-3-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]urea

Molecular Formula : C22H22N5O3Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
1-(4-chlorophenyl)-3-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]urea is a drug-like molecule.

MolName : 1-(4-chlorophenyl)-3-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]urea

MolecularFormula : C22H22N5O3Cl

Smiles : O=C(Cn1c(cccc2)c2c(/C=N\NC(Nc(cc2)ccc2Cl)=O)c1)N1CCOCC1

InChI : InChI=1S/C22H22ClN5O3/c23-17-5-7-18(8-6-17)25-22(30)26-24-13-16-14-28(20-4-2-1-3-19(16)20)15-21(29)27-9-11-31-12-10-27/h1-8,13-14H,9-12,15H2,(H2,25,26,30)

InChIK : MVOCSNAZDAZUPO-UHFFFAOYSA-N

TotalMolweight : 439.902

Molweight : 439.902

MonoisotopicMass : 439.141117

CLogP : 3.1426

CLogS : -4.338

H Acceptors : 8

H Donors : 2

TotalSurfaceArea : 331.02

Relative PSA : 0.24449

PolarSurfaceArea : 87.96

Druglikeness : 6.1825

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.6129

Fragments : 1

Non HAtoms : 31

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 5

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 6

Symmetricatoms : 4

Amides : 2

Aromatic Nitrogens : 1

StereoCon :

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2 - 1-(4-chlorophenyl)-3-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]urea
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