[(E)-3-(3-nitrophenyl)prop-2-enyl] 3,5-dinitrobenzoate

Formula:C16H11N3O8 Mutagenic:none Tumorigenic:none Reproductive Effective:none [(E)-3-(3-nitrophenyl)prop-2-enyl] 3,5-dinitrobenzoate is not a drug-like molecule.

MolName	[(E)-3-(3-nitrophenyl)prop-2-enyl] 3,5-dinitrobenzoate
MolecularFormula	C16H11N3O8
Smiles	[O-][N+](c1cccc(/C=C/COC(c2cc([N+]([O-])=O)cc([N+]([O-])=O)c2)=O)c1)=O
InChI	InChI=1S/C16H11N3O8/c20-16(12-8-14(18(23)24)10-15(9-12)19(25)26)27-6-2-4-11-3-1-5-13(7-11)17(21)22/h1-5,7-10H,6H2
InChIK	HHCFURZOSDRICY-UHFFFAOYSA-N
TotalMolweight	373.276
Molweight	373.276
MonoisotopicMass	373.054617
CLogP	0.9871
CLogS	-4.977
H Acceptors	11
TotalSurfaceArea	272.04
Relative PSA	0.42016
PolarSurfaceArea	163.76
Druglikeness	-6.1689
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	5
AcidicOxygens	3
StereoCon

Click to Load Molecule:

1 - [(E)-3-(3-nitrophenyl)prop-2-enyl] 3,5-dinitrobenzoate | 2 - [(E)-3-(3-nitrophenyl)prop-2-enyl] 3,5-dinitrobenzoate

Request More Details | [(E)-3-(3-nitrophenyl)prop-2-enyl] 3,5-dinitrobenzoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments