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C19H17N5O3 | Cheminformatics
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[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]urea

Molecular Formula : C19H17N5O3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]urea is a drug-like molecule.

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

MolecularFormula : C19H17N5O3

Smiles : NC(N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)cc2c1OCCO2)=O

InChI : InChI=1S/C19H17N5O3/c20-19(25)22-21-11-14-12-24(15-4-2-1-3-5-15)23-18(14)13-6-7-16-17(10-13)27-9-8-26-16/h1-7,10-12H,8-9H2,(H3,20,22,25)

InChIK : YTLOOWBQOOMEAC-UHFFFAOYSA-N

TotalMolweight : 363.376

Molweight : 363.376

MonoisotopicMass : 363.13314

CLogP : 2.0331

CLogS : -4.509

H Acceptors : 8

H Donors : 2

TotalSurfaceArea : 277.25

Relative PSA : 0.32144

PolarSurfaceArea : 103.76

Druglikeness : -1.4378

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.48148

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 4

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 4

Symmetricatoms : 2

Amides : 1

Aromatic Nitrogens : 2

StereoCon :

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1 - [(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]urea
2 - [(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]urea
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