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Chemical ID: 4329677
Chemical ID:
4329677
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c(c(=O)s2)nc[nH]3
InChi [?]:
InChI=1/C10H6N2OS/c13-10-9-8(11-5-12-9)6-3-1-2-4-7(6)14-10/h1-5H,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,13,5,4,7,8,9,14,12,10,11/rA:14nCCCCCCCCCOSNCN/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s4s9;s8;d12;s7s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H6N2OS |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.54552 |
Area: | 345.055 |
Solvation: | -2.08085 |
Coulombic: | -26.6362 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 202.234 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.03 |
LogP (Chemaxon): | 2.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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