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Chemical ID: 7412208
Chemical ID:
7412208
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1Cl)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)O)CCc5ccc(c(c5)OC)OC
InChi [?]:
InChI=1/C28H24ClNO6/c1-15-11-22-19(14-20(15)29)26(32)24-25(17-5-4-6-18(31)13-17)30(28(33)27(24)36-22)10-9-16-7-8-21(34-2)23(12-16)35-3/h4-8,11-14,25,31H,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,36,34,20,19,21,28,29,26,25,3,32,23,6,2,27,18,22,5,7,30,4,31,11,17,9,12,14,8,16,24,10,15,35,33,13/rA:36cCCCCCCCClCOCCOCONCCCCCCCOCCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;d11;s4s12;s12;d14;s14;s11s16;s17;s18;d19;s20;d21;d18s22;s22;s16;s25;s26;s27;d28;s29;d30;d27s31;s31;s33;s30;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H24ClNO6 |
All Atoms: | 60 |
Heavy Atoms: | 36 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.559 |
Area: | 737.781 |
Solvation: | -7.88557 |
Coulombic: | -65.1502 |
Bond Count [?]
All: | 40 |
Single: | 28 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 505.946 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.29 |
LogP (Chemaxon): | 4.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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