ChemDB: Chemical Search
Download
Chemical ID: 4926758
Chemical ID:
4926758
Name [?]:
None
SMILES [?]:
CCN1CCN=c2c3cc(ccc3n4cnc5c4c2c1cc5)OC
InChi [?]:
InChI=1/C19H18N4O/c1-3-22-9-8-20-18-13-10-12(24-2)4-6-15(13)23-11-21-14-5-7-16(22)17(18)19(14)23/h4-7,10-11H,3,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,2,11,22,12,21,5,4,9,15,10,8,17,13,20,19,7,18,6,16,3,14,23/rA:24cCCNCCNCCCCCCCNCNCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s7;s8;d9;s10;d11;d8s12;s13;s14;d15;s16;s14s17;s7d18;s3s19;d20;d17s21;s10;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N4O |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.90312 |
Area: | 465.112 |
Solvation: | -3.72467 |
Coulombic: | -29.968 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 318.373 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.26 |
LogP (Chemaxon): | 3.17 |
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 |
---|