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Chemical ID: 6692683

c1cc(cc(c1)Cl)OCC(C=CC2C(CC(C2CC=CCCCC(=O)O)O)O)O

Chemical ID:

6692683

Name [?]:

7-[2-[4-(3-chlorophenoxy)-3-hydroxy-but-1-enyl]-3,5-dihydroxy-cyclopentyl]hept-5-enoic acid

SMILES [?]:

c1cc(cc(c1)Cl)OCC(C=CC2C(CC(C2CC=CCCCC(=O)O)O)O)O

InChi [?]:

InChI=1/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)

InChi Info:

AuxInfo=1/1/N:20,21,19,22,1,6,2,18,23,11,12,4,15,9,5,10,3,17,13,16,14,24,7,29,27,28,25,26,8/E:(27,28)/rA:29cCCCCCCClOCCCCCCCCCCCCCCCCOOOOO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;w11;s12;s13;s14;s15;s13s16;s17;s18;w19;s20;s21;s22;s23;d24;s24;s16;s14;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₉ClO₆
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	5

ZAP Information [?]

Total:	10.4243
Area:	706.684
Solvation:	-7.24283
Coulombic:	-86.2691

Bond Count [?]

All:	30
Single:	24
Double:	6
Rotors:	11
Chiral:	2
Rigid Segments:	8

Chemical Properties

Molecular Weight:	424.915
H-Bond Donors:	4
H-Bond Acceptors:	6
XLogP:	3.06
LogP (Chemaxon):	3.24

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value