(E)-3-[1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]prop-2-enoic acid

Formula:C17H19NO7 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]prop-2-enoic acid is a drug-like molecule.

MolName	(E)-3-[1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]prop-2-enoic acid
MolecularFormula	C17H19NO7
Smiles	OCC(C(C(C1O)O)O)OC1n1c(cccc2)c2c(/C=C/C(O)=O)c1
InChI	InChI=1S/C17H19NO7/c19-8-12-14(22)15(23)16(24)17(25-12)18-7-9(5-6-13(20)21)10-3-1-2-4-11(10)18/h1-7,12,14-17,19,22-24H,8H2,(H,20,21)
InChIK	NIRJZMARHDYYDZ-UHFFFAOYSA-N
TotalMolweight	349.338
Molweight	349.338
MonoisotopicMass	349.116154
CLogP	-0.3894
CLogS	-2.451
H Acceptors	8
H Donors	5
TotalSurfaceArea	245.82
Relative PSA	0.38813
PolarSurfaceArea	132.38
Druglikeness	-0.3312
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	5
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	9
Sp3Atoms	12
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon	unknown chirality

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1 - (E)-3-[1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]prop-2-enoic acid | 2 - (E)-3-[1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]prop-2-enoic acid

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