(E)-3-[4-[(E)-3-azido-3-oxoprop-1-enyl]phenyl]prop-2-enoyl azide

Formula:C12H8N6O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[4-[(E)-3-azido-3-oxoprop-1-enyl]phenyl]prop-2-enoyl azide is a drug-like molecule.

MolName	(E)-3-[4-[(E)-3-azido-3-oxoprop-1-enyl]phenyl]prop-2-enoyl azide
MolecularFormula	C12H8N6O2
Smiles	[N-]=[N+]=NC(/C=C/c1ccc(/C=C/C(N=[N+]=[N-])=O)cc1)=O
InChI	InChI=1S/C12H8N6O2/c13-17-15-11(19)7-5-9-1-2-10(4-3-9)6-8-12(20)16-18-14/h1-8H
InChIK	QGGOIEWGOFUEFT-UHFFFAOYSA-N
TotalMolweight	268.236
Molweight	268.236
MonoisotopicMass	268.070874
CLogP	1.7512
CLogS	-3.044
H Acceptors	8
TotalSurfaceArea	223.04
Relative PSA	0.45221
PolarSurfaceArea	86.06
Druglikeness	-2.0432
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.8
Fragments	1
Non HAtoms	20
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Symmetricatoms	11
StereoCon

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