ChemDB: Chemical Search
Download
Chemical ID: 4644029
Chemical ID:
4644029
Name [?]:
None
SMILES [?]:
Cc1c2c(n(n1)C(=O)c3c(c4ccccc4s3)Cl)CC5C2C5(C)C
InChi [?]:
InChI=1/C19H17ClN2OS/c1-9-14-12(8-11-15(14)19(11,2)3)22(21-9)18(23)17-16(20)10-6-4-5-7-13(10)24-17/h4-7,11,15H,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,24,13,14,12,15,19,2,11,20,4,16,3,21,10,9,7,22,18,6,5,8,17/E:(2,3)/rA:24cCCCCNNCOCCCCCCCCSClCCCCCC/rB:s1;s2;d3;s4;d2s5;s5;d7;s7;d9;s10;s11;d12;s13;d14;d11s15;s9s16;s10;s4;s19;s3s20;s20s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17ClN2OS |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.5624 |
Area: | 529.497 |
Solvation: | -1.67499 |
Coulombic: | -17.7371 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 356.87 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.53 |
LogP (Chemaxon): | 4.08 |
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 |
---|