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C18H15N3O3 | Cheminformatics
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(NZ)-N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine

Molecular Formula : C18H15N3O3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(NZ)-N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine is a drug-like molecule.

MolName : (NZ)-N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine

MolecularFormula : C18H15N3O3

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

InChI : InChI=1S/C18H15N3O3/c22-19-11-14-12-21(15-4-2-1-3-5-15)20-18(14)13-6-7-16-17(10-13)24-9-8-23-16/h1-7,10-12,22H,8-9H2

InChIK : RWLCAOXVHPOAFD-UHFFFAOYSA-N

TotalMolweight : 321.335

Molweight : 321.335

MonoisotopicMass : 321.111342

CLogP : 3.1121

CLogS : -4.01

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 245.87

Relative PSA : 0.254

PolarSurfaceArea : 68.87

Druglikeness : -4.3657

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.54167

Fragments : 1

Non HAtoms : 24

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 3

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 5

Symmetricatoms : 2

Aromatic Nitrogens : 2

StereoCon :

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1 - (NZ)-N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
2 - (NZ)-N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
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