Chemical ID: 6916509

COc1ccc2c(c1OC)CN3CCc4cc(c(cc4C3C2)O)OC
Chemical ID:
6916509
Name [?]:
None
SMILES [?]:
COc1ccc2c(c1OC)CN3CCc4cc(c(cc4C3C2)O)OC
InChi [?]:
InChI=1/C20H23NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,9-10,16,22H,6-8,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,10,5,4,14,13,22,16,19,11,6,15,20,7,21,18,3,17,8,12,23,2,24,9/rA:25cCOCCCCCCOCCNCCCCCCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s12s20;s6s21;s18;s17;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23NO4
All Atoms:48
Heavy Atoms:25
Chiral Atoms:2
ZAP Information [?]
Total:6.37222
Area:517.858
Solvation:-6.57424
Coulombic:-43.0991
Bond Count [?]
All:28
Single:22
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:341.401
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.35
LogP (Chemaxon):2.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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