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Chemical ID: 7380934
Chemical ID:
7380934
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1O)C2c3c(=O)c4cc(cc(c4oc3C(=O)N2CCCO)C)C
InChi [?]:
InChI=1/C24H25NO6/c1-4-30-18-12-15(6-7-17(18)27)20-19-21(28)16-11-13(2)10-14(3)22(16)31-23(19)24(29)25(20)8-5-9-26/h6-7,10-12,20,26-27H,4-5,8-9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,31,30,2,27,7,8,26,28,18,16,5,17,19,6,15,9,4,12,11,13,20,22,23,25,29,10,14,24,3,21/rA:31cCCOCCCCCCOCCCOCCCCCCOCCONCCCOCC/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;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25NO6 |
All Atoms: | 56 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.51484 |
Area: | 651.833 |
Solvation: | -6.78098 |
Coulombic: | -74.0825 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 423.458 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.66 |
LogP (Chemaxon): | 3.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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