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Chemical ID: 5265971
Chemical ID:
5265971
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)nc(s2)NC(=O)c3cc(ccc3Cl)[N](=O)O
InChi [?]:
InChI=1/C14H9ClN3O3S/c15-10-6-5-8(18(20)21)7-9(10)13(19)17-14-16-11-3-1-2-4-12(11)22-14/h1-7H,(H,20,21)(H,16,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,16,17,14,15,13,18,5,4,11,8,19,7,10,20,12,21,22,9/E:(20,21)/CRV:18d/rA:22nCCCCCCNCSNCOCCCCCCClN.2OO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s15;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H9ClN3O3S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.20307 |
Area: | 506.362 |
Solvation: | -8.45597 |
Coulombic: | -37.3876 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 334.758 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.29 |
LogP (Chemaxon): | 0.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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