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Chemical ID: 4987559
Chemical ID:
4987559
Name [?]:
10-phenylundecanoic acid
SMILES [?]:
CC(CCCCCCCCC(=O)O)c1ccccc1
InChi [?]:
InChI=1/C17H26O2/c1-15(16-12-8-6-9-13-16)11-7-4-2-3-5-10-14-17(18)19/h6,8-9,12-13,15H,2-5,7,10-11,14H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,6,7,5,8,17,4,16,18,9,3,15,19,10,2,14,11,12,13/E:(8,9)(12,13)(18,19)/rA:19cCCCCCCCCCCCOOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;s2;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H26O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.1765 |
Area: | 523.848 |
Solvation: | -1.91971 |
Coulombic: | -29.7134 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 262.387 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.1 |
LogP (Chemaxon): | 5.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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