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Chemical ID: 4863955
Chemical ID:
4863955
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C3N(C2=O)c4ccccc4S3
InChi [?]:
InChI=1/C14H9NOS/c16-13-9-5-1-2-6-10(9)14-15(13)11-7-3-4-8-12(11)17-14/h1-8,14H
InChi Info:
AuxInfo=1/0/N:2,1,13,14,3,6,12,15,4,5,11,16,9,7,8,10,17/rA:17cCCCCCCCNCOCCCCCCS/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;d9;s8;s11;d12;s13;d14;d11s15;s7s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H9NOS |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.06126 |
Area: | 389.664 |
Solvation: | -1.68035 |
Coulombic: | -19.9351 |
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: | 2 |
XLogP: | 3.03 |
LogP (Chemaxon): | 3.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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