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Chemical ID: 4492758
Chemical ID:
4492758
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1O)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccccc5Cl)F
InChi [?]:
InChI=1/C26H19ClFNO5/c1-2-33-21-11-14(7-9-19(21)30)23-22-24(31)17-12-16(28)8-10-20(17)34-25(22)26(32)29(23)13-15-5-3-4-6-18(15)27/h3-12,23,30H,2,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,29,30,28,31,7,18,8,19,5,16,26,6,27,17,15,32,9,20,4,12,11,13,22,23,33,34,25,10,14,24,3,21/rA:34cCCOCCCCCCOCCCOCCCCCCOCCONCCCCCCCClF/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;s32;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H19ClFNO5 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.61353 |
Area: | 644.162 |
Solvation: | -6.49051 |
Coulombic: | -62.4674 |
Bond Count [?]
All: | 38 |
Single: | 26 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 479.884 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.85 |
LogP (Chemaxon): | 4.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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