Chemical ID: 5251864

Cc1ccc(c2c1cccc2C(C)C(=O)O)C
Chemical ID:
5251864
Name [?]:
2-(5,8-dimethyl-1-naphthyl)propanoic acid
SMILES [?]:
Cc1ccc(c2c1cccc2C(C)C(=O)O)C
InChi [?]:
InChI=1/C15H16O2/c1-9-7-8-10(2)14-12(9)5-4-6-13(14)11(3)15(16)17/h4-8,11H,1-3H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,17,13,9,8,10,3,4,2,5,12,7,11,6,14,15,16/E:(16,17)/rA:17cCCCCCCCCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s6d10;s11;s12;s12;d14;s14;s5;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:7.43187
Area:380.405
Solvation:-2.07825
Coulombic:-28.0415
Bond Count [?]
All:18
Single:12
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:228.286
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.8
LogP (Chemaxon):4.18

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Descriptor Annotations

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