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Chemical ID: 4554123
Chemical ID:
4554123
Name [?]:
None
SMILES [?]:
CCCc1cc2c(cc1OCC)oc(=O)c3c2CCC3
InChi [?]:
InChI=1/C17H20O3/c1-3-6-11-9-14-12-7-5-8-13(12)17(18)20-16(14)10-15(11)19-4-2/h9-10H,3-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,11,19,3,18,20,5,8,4,17,16,6,9,7,14,15,10,13/rA:20nCCCCCCCCCOCCOCOCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;s13;d14;s14;s6d16;s17;s18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.03404 |
Area: | 470.246 |
Solvation: | -2.7221 |
Coulombic: | -27.1355 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 272.339 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.89 |
LogP (Chemaxon): | 4.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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