[(Z)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] 4-bromobenzoate

Formula:C10H8N5O3Br Mutagenic:high Tumorigenic:high Reproductive Effective:none [(Z)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] 4-bromobenzoate is a drug-like molecule.

MolName	[(Z)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] 4-bromobenzoate
MolecularFormula	C10H8N5O3Br
Smiles	N/C(/c1nonc1N)=N\OC(c(cc1)ccc1Br)=O
InChI	InChI=1S/C10H8BrN5O3/c11-6-3-1-5(2-4-6)10(17)18-15-8(12)7-9(13)16-19-14-7/h1-4H,(H2,12,15)(H2,13,16)
InChIK	QMDITXXJOWCHKI-UHFFFAOYSA-N
TotalMolweight	326.11
Molweight	326.11
MonoisotopicMass	324.981051
CLogP	2.0367
CLogS	-3.238
H Acceptors	8
H Donors	2
TotalSurfaceArea	206.62
Relative PSA	0.4895
PolarSurfaceArea	129.62
Druglikeness	-4.2952
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

1 - [(Z)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] 4-bromobenzoate | 2 - [(Z)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] 4-bromobenzoate

Request More Details | [(Z)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] 4-bromobenzoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments