ChemDB: Chemical Search
Download
Chemical ID: 3966808
Chemical ID:
3966808
Name [?]:
None
SMILES [?]:
Cn1c2ccccc2c3c1c4c(c5ccccc5n4CCC#N)c6c3C(=O)NC6
InChi [?]:
InChI=1/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,6,15,5,16,21,7,14,4,17,22,20,29,8,13,24,3,18,12,9,25,10,11,26,23,28,2,19,27/rA:29nCNCCCCCCCCCCCCCCCCNCCCNCCCONC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2s9;d10;s11;s12;s13;d14;s15;d16;d13s17;s11s18;s19;s20;s21;t22;d12;d9s24;s25;d26;s26;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18N4O |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4336 |
Area: | 541.837 |
Solvation: | -3.11233 |
Coulombic: | -37.3149 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 10 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 378.426 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.39 |
LogP (Chemaxon): | 4.82 |
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 |
---|