ChemDB: Chemical Search
Download
Chemical ID: 7694196
Chemical ID:
7694196
Name [?]:
None
SMILES [?]:
CC1(C2(c3ccccc3CCN2C(=O)O1)C)Cc4ccccc4
InChi [?]:
InChI=1/C20H21NO2/c1-19(14-15-8-4-3-5-9-15)20(2)17-11-7-6-10-16(17)12-13-21(20)18(22)23-19/h3-11H,12-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,21,20,22,7,6,19,23,8,5,10,11,17,18,9,4,13,2,3,12,14,15/E:(4,5)(8,9)/rA:23cCCCCCCCCCCCNCOOCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s3s11;s12;d13;s2s13;s3;s2;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21NO2 |
All Atoms: | 44 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.30498 |
Area: | 472.357 |
Solvation: | -2.50393 |
Coulombic: | -32.6531 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.9 |
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 |
---|