ChemDB: Chemical Search
Download
Chemical ID: 6478020
Chemical ID:
6478020
Name [?]:
3-(2-amino-4-methyl-phenyl)amino-5-phenyl-cyclohex-2-en-1-one
SMILES [?]:
Cc1ccc(c(c1)N)NC2=CC(=O)CC(C2)c3ccccc3
InChi [?]:
InChI=1/C19H20N2O/c1-13-7-8-19(18(20)9-13)21-16-10-15(11-17(22)12-16)14-5-3-2-4-6-14/h2-9,12,15,21H,10-11,20H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,21,18,22,3,4,7,16,14,11,2,17,15,10,12,6,5,8,9,13/E:(3,4)(5,6)/rA:22cCCCCCCCNNCCCOCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;d12;s12;s14;s10s15;s15;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20N2O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.91616 |
Area: | 499.824 |
Solvation: | -2.57944 |
Coulombic: | -36.76 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 292.375 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 2.76 |
LogP (Chemaxon): | 3.21 |
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 |
---|