Chemical ID: 7080236

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)O)CCOC
Chemical ID:
7080236
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)O)CCOC
InChi [?]:
InChI=1/C21H19NO5/c1-12-6-7-16-15(10-12)19(24)17-18(13-4-3-5-14(23)11-13)22(8-9-26-2)21(25)20(17)27-16/h3-7,10-11,18,23H,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,19,18,20,3,4,24,25,7,22,2,17,21,6,5,10,16,8,11,13,15,23,9,14,26,12/rA:27cCCCCCCCCOCCOCONCCCCCCCOCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s21;s15;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19NO5
All Atoms:46
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:9.03557
Area:562.924
Solvation:-5.03754
Coulombic:-58.9473
Bond Count [?]
All:30
Single:21
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:365.379
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.26
LogP (Chemaxon):2.67

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