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Chemical ID: 4230274
Chemical ID:
4230274
Name [?]:
None
SMILES [?]:
CCc1c2c(ccc3c2oc(=O)cc3C)oc1C(=O)C
InChi [?]:
InChI=1/C16H14O4/c1-4-10-14-12(19-15(10)9(3)17)6-5-11-8(2)7-13(18)20-16(11)14/h5-7H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,15,20,2,7,6,13,14,18,3,8,5,11,4,17,9,19,12,16,10/rA:20nCCCCCCCCCOCOCCCOCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s8d13;s14;s5;d3s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14O4 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.92131 |
Area: | 435.821 |
Solvation: | -2.97422 |
Coulombic: | -34.7058 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 270.28 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.63 |
LogP (Chemaxon): | 3.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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