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Chemical ID: 4329792
Chemical ID:
4329792
Name [?]:
None
SMILES [?]:
CCCOC(=O)C1C2c3ccccc3C(C1C(=O)OCCC)c4c2cccc4
InChi [?]:
InChI=1/C24H26O4/c1-3-13-27-23(25)21-19-15-9-5-7-11-17(15)20(18-12-8-6-10-16(18)19)22(21)24(26)28-14-4-2/h5-12,19-22H,3-4,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,21,11,26,12,27,10,25,13,28,3,20,9,24,14,23,8,15,7,16,5,17,6,18,4,19/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16,17,18)(19,20)(21,22)(23,24)(25,26)(27,28)/rA:28cCCCOCOCCCCCCCCCCCOOCCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s14;s7s15;s16;d17;s17;s19;s20;s21;s15;s8s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H26O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.4266 |
Area: | 565.827 |
Solvation: | -3.71905 |
Coulombic: | -37.9634 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 378.461 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.91 |
LogP (Chemaxon): | 4.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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