Chemical ID: 4804293

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(c(c4)OC)OC)C
Chemical ID:
4804293
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(c(c4)OC)OC)C
InChi [?]:
InChI=1/C21H19NO5/c1-11-5-7-14-13(9-11)19(23)17-18(22(2)21(24)20(17)27-14)12-6-8-15(25-3)16(10-12)26-4/h5-10,18H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,27,26,24,3,18,4,19,7,22,2,17,6,5,20,21,10,16,8,11,13,15,9,14,25,23,12/rA:27cCCCCCCCCOCCOCONCCCCCCCOCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19NO5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:7.38817
Area:553.141
Solvation:-6.44036
Coulombic:-48.3863
Bond Count [?]
All:30
Single:21
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:365.379
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.42
LogP (Chemaxon):2.62

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Descriptor Annotations

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