ChemDB: Chemical Search
Download
Chemical ID: 5251150
Chemical ID:
5251150
Name [?]:
2-(5-methyl-5-phenyl-1-cyclopentenyl)acetic acid
SMILES [?]:
CC1(CCC=C1CC(=O)O)c2ccccc2
InChi [?]:
InChI=1/C14H16O2/c1-14(11-6-3-2-4-7-11)9-5-8-12(14)10-13(15)16/h2-4,6-8H,5,9-10H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,4,12,16,5,3,7,11,6,8,2,9,10/E:(3,4)(6,7)(15,16)/rA:16cCCCCCCCCOOCCCCCC/rB:s1;s2;s3;s4;s2d5;s6;s7;d8;s8;s2;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.1244 |
Area: | 370.893 |
Solvation: | -2.14794 |
Coulombic: | -28.2901 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 216.276 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.58 |
LogP (Chemaxon): | 3.02 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|