Chemical ID: 5663945

c1ccc2c(c1)c3c([nH]2)C([NH2+]CC3)C(=O)N
Chemical ID:
5663945
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)C([NH2+]CC3)C(=O)N
InChi [?]:
InChI=1/C12H13N3O/c13-12(16)11-10-8(5-6-14-11)7-3-1-2-4-9(7)15-10/h1-4,11,14-15H,5-6H2,(H2,13,16)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,13,12,5,7,4,8,10,14,16,11,9,15/rA:16cCCCCCCCCNCN+CCCON/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s7s12;s10;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14N3O+
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:-25.6323
Area:374.913
Solvation:-35.0051
Coulombic:1.55676
Bond Count [?]
All:18
Single:13
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:216.259
H-Bond Donors:4
H-Bond Acceptors:3
XLogP:-0.02
LogP (Chemaxon):0.59

Name Annotations

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Descriptor Annotations

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