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Chemical ID: 7240165
Chemical ID:
7240165
Name [?]:
2-(4-cyclohexyl-1-naphthyl)propanoic acid
SMILES [?]:
CC(c1ccc(c2c1cccc2)C3CCCCC3)C(=O)O
InChi [?]:
InChI=1/C19H22O2/c1-13(19(20)21)15-11-12-16(14-7-3-2-4-8-14)18-10-6-5-9-17(15)18/h5-6,9-14H,2-4,7-8H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,10,11,14,18,9,12,4,5,2,13,3,6,8,7,19,20,21/E:(3,4)(7,8)(20,21)/rA:21cCCCCCCCCCCCCCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s10;s7d11;s6;s13;s14;s15;s16;s13s17;s2;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22O2 |
All Atoms: | 43 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.85158 |
Area: | 474.854 |
Solvation: | -2.01976 |
Coulombic: | -29.5827 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.7 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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