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Chemical ID: 4645220
Chemical ID:
4645220
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)Oc3cc4cc[nH]c4cc3S2
InChi [?]:
InChI=1/C14H9NOS/c1-2-4-13-11(3-1)16-12-7-9-5-6-15-10(9)8-14(12)17-13/h1-8,15H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,11,12,9,15,10,14,5,8,4,16,13,7,17/rA:17nCCCCCCOCCCCCNCCCS/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;s12;s10s13;d14;d8s15;s4s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H9NOS |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.13549 |
Area: | 387.311 |
Solvation: | -1.5473 |
Coulombic: | -20.7788 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 239.293 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.83 |
LogP (Chemaxon): | 4.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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