ChemDB: Chemical Search
Download
Chemical ID: 3965447
Chemical ID:
3965447
Name [?]:
None
SMILES [?]:
c1cc(c(c2c1N=C3NC(=O)CN3C2)Cl)Cl
InChi [?]:
InChI=1/C10H7Cl2N3O/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7/h1-2H,3-4H2,(H,13,14,16)
InChi Info:
AuxInfo=1/1/N:2,1,14,12,5,3,6,10,4,8,16,15,7,9,13,11/rA:16nCCCCCCNCNCOCNCClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;d10;s10;s8s12;s5s13;s4;s3;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H7Cl2N3O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.78154 |
Area: | 397.697 |
Solvation: | -2.1609 |
Coulombic: | -33.5686 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 256.088 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.1 |
LogP (Chemaxon): | 2.64 |
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 |
---|