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Chemical ID: 7462290
Chemical ID:
7462290
Name [?]:
None
SMILES [?]:
CC1C2CC3C(C(=CC2OC1=O)C)C(=O)C=C3C
InChi [?]:
InChI=1/C15H18O3/c1-7-4-12(16)14-8(2)5-13-11(6-10(7)14)9(3)15(17)18-13/h4-5,9-11,13-14H,6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:18,13,1,16,8,4,17,7,2,5,3,14,9,6,11,15,12,10/rA:18cCCCCCCCCCOCOCCOCCC/rB:s1;s2;s3;s4;s5;s6;d7;s3s8;s9;s2s10;d11;s7;s6;d14;s14;s5d16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18O3 |
All Atoms: | 36 |
Heavy Atoms: | 18 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 6.54113 |
Area: | 402.98 |
Solvation: | -3.53336 |
Coulombic: | -26.088 |
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: | 1.0 |
LogP (Chemaxon): | 2.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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