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Chemical ID: 5234301
Chemical ID:
5234301
Name [?]:
None
SMILES [?]:
COc1ccc2ccc3c(c2c1)C(=O)CC3
InChi [?]:
InChI=1/C14H12O2/c1-16-11-6-4-9-2-3-10-5-7-13(15)14(10)12(9)8-11/h2-4,6,8H,5,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,5,16,4,15,12,6,9,3,11,13,10,14,2/rA:16nCOCCCCCCCCCCCOCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;d3s11;s10;d13;s13;s9s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.11122 |
Area: | 374.781 |
Solvation: | -3.25831 |
Coulombic: | -15.4422 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 212.244 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.72 |
LogP (Chemaxon): | 2.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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