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Chemical ID: 7691548
Chemical ID:
7691548
Name [?]:
None
SMILES [?]:
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)c4ccc(c(c4)Cl)OC)C(=O)C1)C
InChi [?]:
InChI=1/C24H27ClO4/c1-23(2)9-15(26)21-18(11-23)29-19-12-24(3,4)10-16(27)22(19)20(21)13-6-7-17(28-5)14(25)8-13/h6-8,20H,9-12H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,29,15,16,25,18,19,22,28,12,3,10,17,21,26,13,20,4,8,6,5,7,2,11,23,27,14,24,9/E:(1,2,3,4)(9,10)(11,12)(15,16)(18,19)(21,22)(23,24)(26,27)/rA:29nCCCCCCCCOCCCCOCCCCCCCCClOCCOCC/rB:s1;s2;s3;d4;s5;s6;d7;s4s8;s8;s10;s11;s7s12;d13;s11;s11;s6;s17;d18;s19;d20;d17s21;s21;s20;s24;s5;d26;s2s26;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27ClO4 |
All Atoms: | 56 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.5526 |
Area: | 580.402 |
Solvation: | -4.95745 |
Coulombic: | -29.6285 |
Bond Count [?]
All: | 32 |
Single: | 25 |
Double: | 7 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.56 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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