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Chemical ID: 4430323
Chemical ID:
4430323
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)NC=C3C(=NC(=O)S3)N2
InChi [?]:
InChI=1/C10H7N3OS/c14-10-13-9-8(15-10)5-11-6-3-1-2-4-7(6)12-9/h1-5,11H,(H,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,8,5,4,9,10,12,7,15,11,13,14/rA:15nCCCCCCNCCCNCOSN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s11;d12;s9s12;s4s10;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H7N3OS |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.41915 |
Area: | 361.838 |
Solvation: | -1.62679 |
Coulombic: | -39.8162 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 217.248 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.68 |
LogP (Chemaxon): | 1.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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