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Chemical ID: 5465982
Chemical ID:
5465982
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2c(cc(=O)o3)COC(=O)CC4CC5CCC4C5
InChi [?]:
InChI=1/C23H22O4/c24-21(11-17-10-14-5-6-16(17)9-14)26-13-18-12-22(25)27-20-8-7-15-3-1-2-4-19(15)23(18)20/h1-4,7-8,12,14,16-17H,5-6,9-11,13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,24,25,7,8,27,22,20,12,16,23,5,26,21,11,4,9,18,13,10,19,14,17,15/rA:27cCCCCCCCCCCCCCOOCOCOCCCCCCCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s12;d13;s9s13;s11;s16;s17;d18;s18;s20;s21;s22;s23;s24;s21s25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22O4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 11.1888 |
Area: | 562.902 |
Solvation: | -2.88374 |
Coulombic: | -39.1745 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 362.418 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.69 |
LogP (Chemaxon): | 4.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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