ethyl 3-[4,8-dimethyl-2-oxo-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)chromen-3-yl]propanoate

Formula:C18H19N4O5 Mutagenic:none Tumorigenic:none Reproductive Effective:high ethyl 3-[4,8-dimethyl-2-oxo-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)chromen-3-yl]propanoate is a drug-like molecule.

MolName	ethyl 3-[4,8-dimethyl-2-oxo-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)chromen-3-yl]propanoate
MolecularFormula	C18H19N4O5
Smiles	CCOC(CCC1=C(C)c(ccc(OCc2nnn[n-]2)c2C)c2OC1=O)=O
InChI	InChI=1S/C18H19N4O5/c1-4-25-16(23)8-6-13-10(2)12-5-7-14(11(3)17(12)27-18(13)24)26-9-15-19-21-22-20-15/h5,7H,4,6,8-9H2,1-3H3/q-1
InChIK	RVPJZTBQHUDOBM-UHFFFAOYSA-N
TotalMolweight	371.372
Molweight	371.372
MonoisotopicMass	371.135546
CLogP	1.7839
CLogS	-2.772
H Acceptors	9
TotalSurfaceArea	271.62
Relative PSA	0.32763
PolarSurfaceArea	100.5
Druglikeness	-14.72
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	10
Aromatic Nitrogens	4
StereoCon

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1 - ethyl 3-[4,8-dimethyl-2-oxo-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)chromen-3-yl]propanoate | 2 - ethyl 3-[4,8-dimethyl-2-oxo-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)chromen-3-yl]propanoate

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