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Chemical ID: 6045351
Chemical ID:
6045351
Name [?]:
4-chloro-3-nitro-pyridin-2-amine
SMILES [?]:
c1cnc(c(c1Cl)[N+](=O)[O-])N
InChi [?]:
InChI=1/C5H4ClN3O2/c6-3-1-2-8-5(7)4(3)9(10)11/h1-2H,(H2,7,8)
InChi Info:
AuxInfo=1/1/N:1,2,6,5,4,7,11,3,8,9,10/E:(10,11)/CRV:9.5/rA:11nCCNCCCClN+OO-N/rB:s1;d2;s3;d4;d1s5;s6;s5;d8;s8;s4;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C5H4ClN3O2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 1.38255 |
Area: | 310.099 |
Solvation: | -6.36991 |
Coulombic: | -34.2669 |
Bond Count [?]
All: | 11 |
Single: | 7 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 173.557 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.72 |
LogP (Chemaxon): | 1.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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