ChemDB: Chemical Search
Download
Chemical ID: 7658838
Chemical ID:
7658838
Name [?]:
None
SMILES [?]:
CC(CC#Cc1ccccc1)(c2ccccc2)O
InChi [?]:
InChI=1/C17H16O/c1-17(18,16-12-6-3-7-13-16)14-8-11-15-9-4-2-5-10-15/h2-7,9-10,12-13,18H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,15,8,10,14,16,4,7,11,5,13,17,3,6,12,2,18/E:(4,5)(6,7)(9,10)(12,13)/rA:18cCCCCCCCCCCCCCCCCCO/rB:s1;s2;s3;t4;s5;s6;d7;s8;d9;d6s10;s2;s12;d13;s14;d15;d12s16;s2;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16O |
All Atoms: | 34 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.19787 |
Area: | 453.206 |
Solvation: | -2.13229 |
Coulombic: | -21.1908 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 6 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.95 |
LogP (Chemaxon): | None |
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 |
---|