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Chemical ID: 6918682
Chemical ID:
6918682
Name [?]:
None
SMILES [?]:
CC(C)(C=C)c1cc2cc3ccoc3cc2oc1=O
InChi [?]:
InChI=1/C16H14O3/c1-4-16(2,3)12-8-11-7-10-5-6-18-13(10)9-14(11)19-15(12)17/h4-9H,1H2,2-3H3
InChi Info:
AuxInfo=1/0/N:5,1,3,4,11,12,9,7,15,10,8,6,14,16,18,2,19,13,17/E:(2,3)/rA:19nCCCCCCCCCCCCOCCCOCO/rB:s1;s2;s2;d4;s2;d6;s7;s8;d9;s10;d11;s12;s10s13;d14;d8s15;s16;s6s17;d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14O3 |
All Atoms: | 33 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.54028 |
Area: | 418.952 |
Solvation: | -2.93353 |
Coulombic: | -27.901 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 254.281 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.16 |
LogP (Chemaxon): | 4.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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