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Chemical ID: 4664789
Chemical ID:
4664789
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2C(=O)CCO3
InChi [?]:
InChI=1/C13H10O2/c14-11-7-8-15-12-6-5-9-3-1-2-4-10(9)13(11)12/h1-6H,7-8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,8,13,14,5,4,11,9,10,12,15/rA:15nCCCCCCCCCCCOCCO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s11;s13;s9s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.28566 |
Area: | 344.678 |
Solvation: | -2.3313 |
Coulombic: | -16.8375 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 198.217 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.66 |
LogP (Chemaxon): | 2.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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