ChemDB: Chemical Search
Download
Chemical ID: 5277691
Chemical ID:
5277691
Name [?]:
None
SMILES [?]:
CCc1nc2c3cnn(c3ncn2n1)c4ccc(c(c4)Cl)C
InChi [?]:
InChI=1/C15H13ClN6/c1-3-13-19-15-11-7-18-22(14(11)17-8-21(15)20-13)10-5-4-9(2)12(16)6-10/h4-8H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,17,16,20,7,12,18,15,6,19,3,10,5,21,11,8,4,14,13,9/rA:22nCCCNCCCNNCNCNNCCCCCCClC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d6s9;s10;d11;s5s12;d3s13;s9;s15;d16;s17;d18;d15s19;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13ClN6 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5629 |
Area: | 500.976 |
Solvation: | -1.96155 |
Coulombic: | -22.4148 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 312.757 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.85 |
LogP (Chemaxon): | 4.43 |
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 |
---|