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Chemical ID: 7233786
Chemical ID:
7233786
Name [?]:
2-(3-azaniumylpropanoylamino)-3-(1H-imidazol-4-yl)propanoate
SMILES [?]:
c1c(nc[nH]1)CC(C(=O)[O-])NC(=O)CC[NH3+]
InChi [?]:
InChI=1/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:14,15,6,1,4,2,7,12,8,16,5,3,11,13,9,10/E:(15,16)/rA:16cCCNCNCCCOO-NCOCCN+/rB:d1;s2;d3;s1s4;s2;s6;s7;d8;s8;s7;s11;d12;s12;s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H14N4O3 |
All Atoms: | 30 |
Heavy Atoms: | 16 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -51.416 |
Area: | 414.008 |
Solvation: | -61.7663 |
Coulombic: | -12.0984 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | -2.1 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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