5-nitro-6-[(E)-2-(3-prop-2-ynoxyphenyl)ethenyl]-1H-pyrimidine-2,4-dione

Formula:C15H11N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-nitro-6-[(E)-2-(3-prop-2-ynoxyphenyl)ethenyl]-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	5-nitro-6-[(E)-2-(3-prop-2-ynoxyphenyl)ethenyl]-1H-pyrimidine-2,4-dione
MolecularFormula	C15H11N3O5
Smiles	C#CCOc1cccc(/C=C/C(NC(NC2=O)=O)=C2[N+]([O-])=O)c1
InChI	InChI=1S/C15H11N3O5/c1-2-8-23-11-5-3-4-10(9-11)6-7-12-13(18(21)22)14(19)17-15(20)16-12/h1,3-7,9H,8H2,(H2,16,17,19,20)
InChIK	HTRUZCKJPCGHQN-UHFFFAOYSA-N
TotalMolweight	313.268
Molweight	313.268
MonoisotopicMass	313.069872
CLogP	0.2532
CLogS	-4.048
H Acceptors	8
H Donors	2
TotalSurfaceArea	238.84
Relative PSA	0.37439
PolarSurfaceArea	113.25
Druglikeness	-2.9318
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
Amides	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 5-nitro-6-[(E)-2-(3-prop-2-ynoxyphenyl)ethenyl]-1H-pyrimidine-2,4-dione | 2 - 5-nitro-6-[(E)-2-(3-prop-2-ynoxyphenyl)ethenyl]-1H-pyrimidine-2,4-dione

Request More Details | 5-nitro-6-[(E)-2-(3-prop-2-ynoxyphenyl)ethenyl]-1H-pyrimidine-2,4-dione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments