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Chemical ID: 7518757
Chemical ID:
7518757
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)OCc5ccccc5)CCCOC(C)C
InChi [?]:
InChI=1/C31H31NO5/c1-20(2)35-16-8-15-32-28(23-11-7-12-24(18-23)36-19-22-9-5-4-6-10-22)27-29(33)25-17-21(3)13-14-26(25)37-30(27)31(32)34/h4-7,9-14,17-18,20,28H,8,15-16,19H2,1-3H3
InChi Info:
AuxInfo=1/0/N:36,37,1,28,27,29,19,32,26,30,18,20,3,4,31,33,7,22,24,35,2,25,17,21,6,5,10,16,8,11,13,15,9,14,34,23,12/E:(1,2)(5,6)(9,10)/rA:37cCCCCCCCCOCCOCONCCCCCCCOCCCCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s24;s25;d26;s27;d28;d25s29;s15;s31;s32;s33;s34;s35;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H31NO5 |
All Atoms: | 68 |
Heavy Atoms: | 37 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 13.3075 |
Area: | 781.28 |
Solvation: | -6.22449 |
Coulombic: | -52.1625 |
Bond Count [?]
All: | 41 |
Single: | 29 |
Double: | 12 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.53 |
LogP (Chemaxon): | None |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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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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