Chemical ID: 6659942

c1cc(cnc1)C(=O)NCP(=O)(O)[O-]
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

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