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Chemical ID: 6382704
Chemical ID:
6382704
Name [?]:
None
SMILES [?]:
CC(=O)c1cc2ccc3ccccc3c2oc1=O
InChi [?]:
InChI=1/C15H10O3/c1-9(16)13-8-11-7-6-10-4-2-3-5-12(10)14(11)18-15(13)17/h2-8H,1H3
InChi Info:
AuxInfo=1/0/N:1,11,12,10,13,8,7,5,2,9,6,14,4,15,17,3,18,16/rA:18nCCOCCCCCCCCCCCCOCO/rB:s1;d2;s2;d4;s5;s6;d7;s8;s9;d10;s11;d12;d9s13;d6s14;s15;s4s16;d17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10O3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.11804 |
Area: | 402.909 |
Solvation: | -3.95468 |
Coulombic: | -26.1677 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 238.238 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.8 |
LogP (Chemaxon): | 2.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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