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Chemical ID: 5196769
Chemical ID:
5196769
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C(=O)CCC23CCCC3
InChi [?]:
InChI=1/C14H16O/c15-13-7-10-14(8-3-4-9-14)12-6-2-1-5-11(12)13/h1-2,5-6H,3-4,7-10H2
InChi Info:
AuxInfo=1/0/N:1,2,13,14,6,3,9,12,15,10,5,4,7,11,8/E:(3,4)(8,9)/rA:15nCCCCCCCOCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s4s10;s11;s12;s13;s11s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.47103 |
Area: | 358.041 |
Solvation: | -1.47999 |
Coulombic: | -10.0689 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 200.276 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.82 |
LogP (Chemaxon): | 3.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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