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Chemical ID: 5277206
Chemical ID:
5277206
Name [?]:
None
SMILES [?]:
CC1(C2C1(C(=O)Oc3c2cccc3)C(=O)NC4CCCCC4)C(=O)c5ccc(cc5)Cl
InChi [?]:
InChI=1/C25H24ClNO4/c1-24(21(28)15-11-13-16(26)14-12-15)20-18-9-5-6-10-19(18)31-23(30)25(20,24)22(29)27-17-7-3-2-4-8-17/h5-6,9-14,17,20H,2-4,7-8H2,1H3,(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,11,12,18,22,10,13,26,30,27,29,25,28,17,9,8,3,23,14,5,2,4,31,16,24,15,6,7/E:(3,4)(7,8)(11,12)(13,14)/rA:31cCCCCCOOCCCCCCCONCCCCCCCOCCCCCCCl/rB:s1;s2;s2s3;s4;d5;s5;s7;s3s8;d9;s10;d11;d8s12;s4;d14;s14;s16;s17;s18;s19;s20;s17s21;s2;d23;s23;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H24ClNO4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 12.4588 |
Area: | 621.865 |
Solvation: | -3.0878 |
Coulombic: | -48.8244 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 437.915 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.39 |
LogP (Chemaxon): | 4.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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