ChemDB: Chemical Search
Download
Chemical ID: 7673306
Chemical ID:
7673306
Name [?]:
None
SMILES [?]:
COc1cc2ccccc2cc1CNc3ccccc3
InChi [?]:
InChI=1/C18H17NO/c1-20-18-12-15-8-6-5-7-14(15)11-16(18)13-19-17-9-3-2-4-10-17/h2-12,19H,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,17,19,8,7,9,6,16,20,11,4,13,10,5,12,15,3,14,2/E:(3,4)(9,10)/rA:20nCOCCCCCCCCCCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;d8;s5s9;d10;d3s11;s12;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17NO |
All Atoms: | 37 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.81472 |
Area: | 466.818 |
Solvation: | -2.85573 |
Coulombic: | -21.8043 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.56 |
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 |
---|