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Chemical ID: 4345768
Chemical ID:
4345768
Name [?]:
None
SMILES [?]:
Cc1cc(=O)oc2c1cc3c(coc3c2)C
InChi [?]:
InChI=1/C13H10O3/c1-7-3-13(14)16-12-5-11-10(4-9(7)12)8(2)6-15-11/h3-6H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,3,9,15,12,2,11,8,10,14,7,4,5,13,6/rA:16nCCCCOOCCCCCCOCCC/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;s10;d11;s12;d10s13;d7s14;s11;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10O3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.46066 |
Area: | 373.952 |
Solvation: | -2.88814 |
Coulombic: | -25.1722 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 214.217 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.32 |
LogP (Chemaxon): | 3.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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