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Chemical ID: 7080461
Chemical ID:
7080461
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1O)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCOC
InChi [?]:
InChI=1/C23H23NO6/c1-3-29-18-13-14(9-10-16(18)25)20-19-21(26)15-7-4-5-8-17(15)30-22(19)23(27)24(20)11-6-12-28-2/h4-5,7-10,13,20,25H,3,6,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,2,17,18,27,16,19,7,8,26,28,5,6,15,9,20,4,12,11,13,22,23,25,10,14,24,29,3,21/rA:30cCCOCCCCCCOCCCOCCCCCCOCCONCCCOC/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;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23NO6 |
All Atoms: | 53 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.72981 |
Area: | 635.278 |
Solvation: | -7.15213 |
Coulombic: | -65.5626 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 409.432 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.52 |
LogP (Chemaxon): | 2.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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