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Chemical ID: 7080220
Chemical ID:
7080220
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1O)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCOC)C
InChi [?]:
InChI=1/C23H23NO6/c1-4-29-18-12-14(6-7-16(18)25)20-19-21(26)15-11-13(2)5-8-17(15)30-22(19)23(27)24(20)9-10-28-3/h5-8,11-12,20,25H,4,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,30,29,2,18,7,8,19,26,27,16,5,17,6,15,9,20,4,12,11,13,22,23,25,10,14,24,28,3,21/rA:30cCCOCCCCCCOCCCOCCCCCCOCCONCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s11s23;s25;s26;s27;s28;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23NO6 |
All Atoms: | 53 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.17972 |
Area: | 622.65 |
Solvation: | -6.38653 |
Coulombic: | -65.9528 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 409.432 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.6 |
LogP (Chemaxon): | 2.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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