Chemical ID: 6758491

c1cc(cnc1)C(CC(=O)[O-])[NH3+]
Chemical ID:
6758491
Name [?]:
3-azaniumyl-3-(3-pyridyl)propanoate
SMILES [?]:
c1cc(cnc1)C(CC(=O)[O-])[NH3+]
InChi [?]:
InChI=1/C8H10N2O2/c9-7(4-8(11)12)6-2-1-3-10-5-6/h1-3,5,7H,4,9H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,4,3,7,9,12,5,10,11/E:(11,12)/rA:12cCCCCNCCCCOO-N+/rB:s1;d2;s3;d4;d1s5;s3;s7;s8;d9;s9;s7;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H10N2O2
All Atoms:22
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:-32.6412
Area:330.272
Solvation:-40.898
Coulombic:-2.31292
Bond Count [?]
All:12
Single:8
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:166.177
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:-0.95
LogP (Chemaxon):-2.65

Name Annotations

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Descriptor Annotations

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