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Chemical ID: 4559168
Chemical ID:
4559168
Name [?]:
None
SMILES [?]:
CC1C2CCC(=C3C(C2OC1=O)C(=CC3=O)C)C
InChi [?]:
InChI=1/C15H18O3/c1-7-4-5-10-9(3)15(17)18-14(10)13-8(2)6-11(16)12(7)13/h6,9-10,13-14H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:18,17,1,5,4,14,6,13,2,3,15,7,8,9,11,16,12,10/rA:18cCCCCCCCCCOCOCCCOCC/rB:s1;s2;s3;s4;s5;d6;s7;s3s8;s9;s2s10;d11;s8;d13;s7s14;d15;s13;s6;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18O3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 6.89499 |
Area: | 401.902 |
Solvation: | -3.15257 |
Coulombic: | -26.5461 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 246.302 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.09 |
LogP (Chemaxon): | 1.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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