Chemical ID: 4724875

CC(C(=O)O)Nc1c(ccc(n1)Cl)[N+](=O)[O-]
Chemical ID:
4724875
Name [?]:
2-[(6-chloro-3-nitro-2-pyridyl)amino]propanoic acid
SMILES [?]:
CC(C(=O)O)Nc1c(ccc(n1)Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C8H8ClN3O4/c1-4(8(13)14)10-7-5(12(15)16)2-3-6(9)11-7/h2-4H,1H3,(H,10,11)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,9,10,2,8,11,7,3,13,6,12,14,4,5,15,16/E:(13,14)(15,16)/CRV:12.5/rA:16cCCCOONCCCCCNClN+OO-/rB:s1;s2;d3;s3;s2;s6;s7;d8;s9;d10;d7s11;s11;s8;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8ClN3O4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:3.02203
Area:410.007
Solvation:-7.22815
Coulombic:-57.3438
Bond Count [?]
All:16
Single:11
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:245.62
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.18
LogP (Chemaxon):2.58

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