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Chemical ID: 4572166
Chemical ID:
4572166
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)CN2Cc3c(ccc4c3oc(=O)c5c4ccc(c5)OC)OC2
InChi [?]:
InChI=1/C24H21NO5/c1-27-16-5-3-15(4-6-16)12-25-13-21-22(29-14-25)10-9-19-18-8-7-17(28-2)11-20(18)24(26)30-23(19)21/h3-11H,12-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,5,7,4,8,24,23,15,14,26,9,11,30,6,3,25,22,16,21,12,13,17,19,10,20,2,27,29,18/E:(3,4)(5,6)/rA:30cCOCCCCCCCNCCCCCCCOCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;d19;s19;s16s21;d22;s23;d24;d21s25;s25;s27;s13;s10s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H21NO5 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.71225 |
Area: | 608.816 |
Solvation: | -6.50815 |
Coulombic: | -46.3608 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 403.427 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.57 |
LogP (Chemaxon): | 4.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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