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Chemical ID: 7407132
Chemical ID:
7407132
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1O)C2c3c(=O)c4cc(c(cc4oc3C(=O)N2Cc5ccco5)C)Cl
InChi [?]:
InChI=1/C25H20ClNO6/c1-3-31-20-10-14(6-7-18(20)28)22-21-23(29)16-11-17(26)13(2)9-19(16)33-24(21)25(30)27(22)12-15-5-4-8-32-15/h4-11,22,28H,3,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,32,2,29,28,7,8,30,19,5,16,26,18,6,27,15,17,9,20,4,12,11,13,22,23,33,25,10,14,24,3,31,21/rA:33cCCOCCCCCCOCCCOCCCCCCOCCONCCCCCOCCl/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;d27;s28;d29;s27s30;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H20ClNO6 |
All Atoms: | 53 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.4218 |
Area: | 671.635 |
Solvation: | -7.36907 |
Coulombic: | -63.5122 |
Bond Count [?]
All: | 37 |
Single: | 26 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 465.882 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.61 |
LogP (Chemaxon): | 4.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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