Chemical ID: 5661149

c1cc(ccc1CC(C(=O)O)[NH3+])Cl
Chemical ID:
5661149
Name [?]:
[1-carboxy-2-(4-chlorophenyl)-ethyl]ammonium
SMILES [?]:
c1cc(ccc1CC(C(=O)O)[NH3+])Cl
InChi [?]:
InChI=1/C9H10ClNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/p+1
InChi Info:
AuxInfo=1/1/N:1,5,2,4,7,6,3,8,9,13,12,10,11/E:(1,2)(3,4)(12,13)/rA:13cCCCCCCCCCOON+Cl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s8;s3;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11ClNO2+
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:-31.2743
Area:371.154
Solvation:-40.5532
Coulombic:18.5586
Bond Count [?]
All:13
Single:9
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:200.642
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:-0.76
LogP (Chemaxon):-0.63

Name Annotations

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Descriptor Annotations

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