ChemDB: Chemical Search
Download
Chemical ID: 4917589
Chemical ID:
4917589
Name [?]:
None
SMILES [?]:
CC12CC(c3ccccc3O1)Sc4ccccc4N2
InChi [?]:
InChI=1/C16H15NOS/c1-16-10-15(11-6-2-4-8-13(11)18-16)19-14-9-5-3-7-12(14)17-16/h2-9,15,17H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,16,8,15,6,17,9,14,3,5,18,10,13,4,2,19,11,12/rA:19cCCCCCCCCCCOSCCCCCCN/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;s4;s12;s13;d14;s15;d16;d13s17;s2s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15NOS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.80342 |
Area: | 388.182 |
Solvation: | -1.90114 |
Coulombic: | -22.3438 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 269.362 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.17 |
LogP (Chemaxon): | 4.5 |
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 |
---|