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C14H16N6O4 | Cheminformatics
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[(Z)-[(4-amino-1,2,5-oxadiazol-3-yl)-morpholin-4-ylmethylidene]amino] N-phenylcarbamate

Molecular Formula : C14H16N6O4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
[(Z)-[(4-amino-1,2,5-oxadiazol-3-yl)-morpholin-4-ylmethylidene]amino] N-phenylcarbamate is a drug-like molecule.

MolName : [(Z)-[(4-amino-1,2,5-oxadiazol-3-yl)-morpholin-4-ylmethylidene]amino] N-phenylcarbamate

MolecularFormula : C14H16N6O4

Smiles : Nc1nonc1/C(/N1CCOCC1)=N/OC(Nc1ccccc1)=O

InChI : InChI=1S/C14H16N6O4/c15-12-11(17-24-18-12)13(20-6-8-22-9-7-20)19-23-14(21)16-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,15,18)(H,16,21)

InChIK : PVXORSFKNHEURB-UHFFFAOYSA-N

TotalMolweight : 332.319

Molweight : 332.319

MonoisotopicMass : 332.123304

CLogP : 1.8924

CLogS : -2.541

H Acceptors : 10

H Donors : 2

TotalSurfaceArea : 252.77

Relative PSA : 0.43866

PolarSurfaceArea : 128.1

Druglikeness : -3.8846

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.54167

Fragments : 1

Non HAtoms : 24

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 6

Symmetricatoms : 4

Amides : 1

Aromatic Nitrogens : 2

StereoCon :

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1 - [(Z)-[(4-amino-1,2,5-oxadiazol-3-yl)-morpholin-4-ylmethylidene]amino] N-phenylcarbamate
2 - [(Z)-[(4-amino-1,2,5-oxadiazol-3-yl)-morpholin-4-ylmethylidene]amino] N-phenylcarbamate
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