Chemical ID: 4807490

Cc1cc2c(c(c1)OC(C)C(=O)NCCCC(=O)O)c3c(c(=O)o2)CCC3
Chemical ID:
4807490
Name [?]:
None
SMILES [?]:
Cc1cc2c(c(c1)OC(C)C(=O)NCCCC(=O)O)c3c(c(=O)o2)CCC3
InChi [?]:
InChI=1/C20H23NO6/c1-11-9-15(26-12(2)19(24)21-8-4-7-17(22)23)18-13-5-3-6-14(13)20(25)27-16(18)10-11/h9-10,12H,3-8H2,1-2H3,(H,21,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,10,26,15,27,25,16,14,7,3,2,9,20,21,6,4,17,5,11,22,13,18,19,12,23,8,24/E:(22,23)/rA:27cCCCCCCCOCCCONCCCCOOCCCOOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s9;d11;s11;s13;s14;s15;s16;d17;s17;s5;d20;s21;d22;s4s22;s21;s25;s20s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23NO6
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:9.37803
Area:593.892
Solvation:-5.46929
Coulombic:-72.5696
Bond Count [?]
All:29
Single:22
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:373.4
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.24
LogP (Chemaxon):2.59

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