2-[4-[(E)-2-cyano-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-enyl]phenoxy]acetic acid

Formula:C17H18N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[4-[(E)-2-cyano-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-enyl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[4-[(E)-2-cyano-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-enyl]phenoxy]acetic acid
MolecularFormula	C17H18N2O5
Smiles	N#C/C(/C(NCC1OCCC1)=O)=C\c(cc1)ccc1OCC(O)=O
InChI	InChI=1S/C17H18N2O5/c18-9-13(17(22)19-10-15-2-1-7-23-15)8-12-3-5-14(6-4-12)24-11-16(20)21/h3-6,8,15H,1-2,7,10-11H2,(H,19,22)(H,20,21)/t15-/m1/s1
InChIK	HOMTXZZOCGPETQ-OAHLLOKOSA-N
TotalMolweight	330.339
Molweight	330.339
MonoisotopicMass	330.121573
CLogP	0.6394
CLogS	-2.741
H Acceptors	7
H Donors	2
TotalSurfaceArea	260.79
Relative PSA	0.32287
PolarSurfaceArea	108.65
Druglikeness	-2.1632
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	9
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon	racemate

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