(E)-3-[4-[4-(hydroxymethyl)triazol-1-yl]phenyl]prop-2-enoate

Formula:C12H10N3O3 Mutagenic:high Tumorigenic:low Reproductive Effective:none (E)-3-[4-[4-(hydroxymethyl)triazol-1-yl]phenyl]prop-2-enoate is a drug-like molecule.

MolName	(E)-3-[4-[4-(hydroxymethyl)triazol-1-yl]phenyl]prop-2-enoate
MolecularFormula	C12H10N3O3
Smiles	[O-]C(/C=C/c(cc1)ccc1-n1nnc(CO)c1)=O
InChI	InChI=1S/C12H11N3O3/c16-8-10-7-15(14-13-10)11-4-1-9(2-5-11)3-6-12(17)18/h1-7,16H,8H2,(H,17,18)/p-1
InChIK	WVKDRTHCIZHGCJ-UHFFFAOYSA-M
TotalMolweight	244.229
Molweight	244.229
MonoisotopicMass	244.072217
CLogP	-2.331
CLogS	-1.631
H Acceptors	6
H Donors	1
TotalSurfaceArea	191.63
Relative PSA	0.36127
PolarSurfaceArea	91.07
Druglikeness	-2.5004
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.72222
Fragments	1
Non HAtoms	18
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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