Chemical ID: 4676597

COc1cc2c(cc1C3Cc4cc5ccoc5cc4OC3=O)OCO2
Chemical ID:
4676597
Name [?]:
None
SMILES [?]:
COc1cc2c(cc1C3Cc4cc5ccoc5cc4OC3=O)OCO2
InChi [?]:
InChI=1/C19H14O6/c1-21-16-8-18-17(23-9-24-18)6-12(16)13-5-11-4-10-2-3-22-14(10)7-15(11)25-19(13)20/h2-4,6-8,13H,5,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,12,10,7,18,4,24,13,11,8,9,17,19,3,6,5,21,22,2,16,23,25,20/rA:25cCOCCCCCCCCCCCCCOCCCOCOOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;s15;s13s16;d17;d11s18;s19;s9s20;d21;s6;s23;s5s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14O6
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:7.00763
Area:507.447
Solvation:-5.67855
Coulombic:-47.0048
Bond Count [?]
All:29
Single:21
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:338.311
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.69
LogP (Chemaxon):3.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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