Chemical ID: 4568387

c1cc(ccc1c2coc3c2cc4c(c3)oc(=O)c5c4CCCCC5)Cl
Chemical ID:
4568387
Name [?]:
None
SMILES [?]:
c1cc(ccc1c2coc3c2cc4c(c3)oc(=O)c5c4CCCCC5)Cl
InChi [?]:
InChI=1/C22H17ClO3/c23-14-8-6-13(7-9-14)19-12-25-20-11-21-17(10-18(19)20)15-4-2-1-3-5-16(15)22(24)26-21/h6-12H,1-5H2
InChi Info:
AuxInfo=1/0/N:23,22,24,21,25,1,5,2,4,12,15,8,6,3,20,19,13,11,7,10,14,17,26,18,9,16/E:(6,7)(8,9)/rA:26nCCCCCCCCOCCCCCCOCOCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7s10;d11;s12;d13;d10s14;s14;s16;d17;s17;s13d19;s20;s21;s22;s23;s19s24;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H17ClO3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.7527
Area:545.272
Solvation:-2.8791
Coulombic:-28.3159
Bond Count [?]
All:30
Single:21
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:364.821
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.95
LogP (Chemaxon):6.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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