[(Z)-[amino(2,1,3-benzoxadiazol-5-yl)methylidene]amino] N-phenylcarbamate

Formula:C14H11N5O3 Mutagenic:high Tumorigenic:none Reproductive Effective:none [(Z)-[amino(2,1,3-benzoxadiazol-5-yl)methylidene]amino] N-phenylcarbamate is a drug-like molecule.

MolName[(Z)-[amino(2,1,3-benzoxadiazol-5-yl)methylidene]amino] N-phenylcarbamate
MolecularFormulaC14H11N5O3
SmilesN/C(/c1cc2nonc2cc1)=N\OC(Nc1ccccc1)=O
InChIInChI=1S/C14H11N5O3/c15-13(9-6-7-11-12(8-9)18-22-17-11)19-21-14(20)16-10-4-2-1-3-5-10/h1-8H,(H2,15,19)(H,16,20)
InChIKFZXDSAXCBBNWMC-UHFFFAOYSA-N
TotalMolweight297.273
Molweight297.273
MonoisotopicMass297.08619
CLogP3.0167
CLogS-3.691
H Acceptors8
H Donors2
TotalSurfaceArea225.53
Relative PSA0.43156
PolarSurfaceArea115.63
Druglikeness-4.7198
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.63636
Fragments1
Non HAtoms22
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond4
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms15
Sp3Atoms1
Symmetricatoms2
Amides1
Aromatic Nitrogens2
StereoCon

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