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Chemical ID: 6659942
Chemical ID:
6659942
Name [?]:
N-[(hydroxy-oxido-phosphoryl)methyl]pyridine-3-carboxamide
SMILES [?]:
c1cc(cnc1)C(=O)NCP(=O)(O)[O-]
InChi [?]:
InChI=1/C7H9N2O4P/c10-7(9-5-14(11,12)13)6-2-1-3-8-4-6/h1-4H,5H2,(H,9,10)(H2,11,12,13)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,4,10,3,7,5,9,8,12,13,14,11/E:(11,12,13)/rA:14cCCCCNCCONCPOOO-/rB:s1;d2;s3;d4;d1s5;s3;d7;s7;s9;s10;d11;s11;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H8N2O4P- |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -33.3823 |
Area: | 376.132 |
Solvation: | -42.7856 |
Coulombic: | -35.7985 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 215.123 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | -1.71 |
LogP (Chemaxon): | -3.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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