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Chemical ID: 5259273
Chemical ID:
5259273
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C=CC23C(=O)c4ccccc4C3=O
InChi [?]:
InChI=1/C17H10O2/c18-15-12-6-2-3-7-13(12)16(19)17(15)10-9-11-5-1-4-8-14(11)17/h1-10H
InChi Info:
AuxInfo=1/0/N:1,14,15,2,6,13,16,3,7,8,5,12,17,4,10,18,9,11,19/E:(2,3)(6,7)(12,13)(15,16)(18,19)/rA:19nCCCCCCCCCCOCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s9s17;d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H10O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.68715 |
Area: | 409.394 |
Solvation: | -2.54771 |
Coulombic: | -19.072 |
Bond Count [?]
All: | 22 |
Single: | 13 |
Double: | 9 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 246.26 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.6 |
LogP (Chemaxon): | 2.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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