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Chemical ID: 6825919
Chemical ID:
6825919
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1O)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccc(cc5)C)Cl
InChi [?]:
InChI=1/C27H22ClNO5/c1-3-33-22-12-17(8-10-20(22)30)24-23-25(31)19-13-18(28)9-11-21(19)34-26(23)27(32)29(24)14-16-6-4-15(2)5-7-16/h4-13,24,30H,3,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,33,2,29,31,28,32,7,18,8,19,5,16,26,30,27,6,17,15,9,20,4,12,11,13,22,23,34,25,10,14,24,3,21/E:(4,5)(6,7)/rA:34cCCOCCCCCCOCCCOCCCCCCOCCONCCCCCCCCCl/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;d28;s29;d30;d27s31;s30;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H22ClNO5 |
All Atoms: | 56 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.7129 |
Area: | 654.798 |
Solvation: | -5.65704 |
Coulombic: | -59.4257 |
Bond Count [?]
All: | 38 |
Single: | 26 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 475.92 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.12 |
LogP (Chemaxon): | 5.22 |
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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