Chemical ID: 6424148

CC1(C=Cc2cc3c(cc2O1)OCC4(C3Oc5c4ccc(c5)O)O)C
Chemical ID:
6424148
Name [?]:
None
SMILES [?]:
CC1(C=Cc2cc3c(cc2O1)OCC4(C3Oc5c4ccc(c5)O)O)C
InChi [?]:
InChI=1/C20H18O5/c1-19(2)6-5-11-7-13-16(9-15(11)25-19)23-10-20(22)14-4-3-12(21)8-17(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,20,19,4,3,6,22,9,13,5,21,7,18,10,8,17,15,2,14,23,24,12,16,11/E:(1,2)/rA:25cCCCCCCCCCCOOCCCOCCCCCCOOC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s2s10;s8;s12;s13;s7s14;s15;s16;s14s17;d18;s19;d20;d17s21;s21;s14;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18O5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:2
ZAP Information [?]
Total:6.6983
Area:496.459
Solvation:-5.71318
Coulombic:-57.5583
Bond Count [?]
All:29
Single:22
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:338.354
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.66
LogP (Chemaxon):2.52

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Descriptor Annotations

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