(E)-7-[2-[(E)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid

Formula:C22H29O6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-7-[2-[(E)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid is a drug-like molecule.

MolName	(E)-7-[2-[(E)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
MolecularFormula	C22H29O6Cl
Smiles	OC(COc1cccc(Cl)c1)/C=C/C(C(C/C=C/CCCC(O)=O)C(C1)O)C1O
InChI	InChI=1S/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)
InChIK	VJGGHXVGBSZVMZ-UHFFFAOYSA-N
TotalMolweight	424.919
Molweight	424.919
MonoisotopicMass	424.165267
CLogP	3.4562
CLogS	-4.138
H Acceptors	6
H Donors	4
TotalSurfaceArea	326.39
Relative PSA	0.23113
PolarSurfaceArea	107.22
Druglikeness	-8.1583
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	5
Rotatable Bond	11
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	16
AcidicOxygens	1
StereoCon	unknown chirality

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1 - (E)-7-[2-[(E)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid | 2 - (E)-7-[2-[(E)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid

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