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Chemical ID: 5010241
Chemical ID:
5010241
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2C(=O)CC3
InChi [?]:
InChI=1/C13H10O/c14-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)12/h1-6H,7-8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,8,14,13,5,9,4,11,10,12/rA:14nCCCCCCCCCCCOCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s11;s9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.67607 |
Area: | 336.397 |
Solvation: | -1.73387 |
Coulombic: | -9.49508 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 182.218 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.8 |
LogP (Chemaxon): | 2.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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