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Chemical ID: 5275245
Chemical ID:
5275245
Name [?]:
None
SMILES [?]:
COc1cc(cc(c1OC)OC)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccco5)Cl
InChi [?]:
InChI=1/C25H20ClNO7/c1-30-18-9-13(10-19(31-2)23(18)32-3)21-20-22(28)16-11-14(26)6-7-17(16)34-24(20)25(29)27(21)12-15-5-4-8-33-15/h4-11,21H,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,10,31,30,20,21,32,4,6,18,28,5,19,29,17,22,3,7,14,13,15,8,24,25,34,27,16,26,2,11,9,33,23/E:(1,2)(9,10)(18,19)(30,31)/rA:34cCOCCCCCCOCOCCCCOCCCCCCOCCONCCCCCOCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d14s23;s24;d25;s13s25;s27;s28;d29;s30;d31;s29s32;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H20ClNO7 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.42548 |
Area: | 679.433 |
Solvation: | -9.56035 |
Coulombic: | -61.1505 |
Bond Count [?]
All: | 38 |
Single: | 27 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 481.882 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.79 |
LogP (Chemaxon): | 3.14 |
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.
Chemical Mix | Source | External ID | Descriptor | Value |
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