Chemical ID: 4846389

CC(CN1CCOCC1)OC(=O)C2c3ccccc3Oc4c2cccc4
Chemical ID:
4846389
Name [?]:
(1-methyl-2-morpholino-ethyl) 9H-xanthene-9-carboxylate
SMILES [?]:
CC(CN1CCOCC1)OC(=O)C2c3ccccc3Oc4c2cccc4
InChi [?]:
InChI=1/C21H23NO4/c1-15(14-22-10-12-24-13-11-22)25-21(23)20-16-6-2-4-8-18(16)26-19-9-5-3-7-17(19)20/h2-9,15,20H,10-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,24,17,25,15,23,18,26,5,9,6,8,3,2,14,22,19,21,13,11,4,12,7,10,20/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(16,17)(18,19)/rA:26cCCCNCCOCCOCOCCCCCCCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s2;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s13s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23NO4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:9.92903
Area:555.109
Solvation:-3.9487
Coulombic:-41.7955
Bond Count [?]
All:29
Single:22
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:353.412
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.81
LogP (Chemaxon):2.92

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Descriptor Annotations

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