Chemical ID: 7175088

c1cc(ccc1NC(=O)C(CC(=O)[O-])[NH3+])Cl
Chemical ID:
7175088
Name [?]:
3-azaniumyl-4-(4-chlorophenyl)amino-4-oxo-butanoate
SMILES [?]:
c1cc(ccc1NC(=O)C(CC(=O)[O-])[NH3+])Cl
InChi [?]:
InChI=1/C10H11ClN2O3/c11-6-1-3-7(4-2-6)13-10(16)8(12)5-9(14)15/h1-4,8H,5,12H2,(H,13,16)(H,14,15)
InChi Info:
AuxInfo=1/1/N:2,4,1,5,11,3,6,10,12,8,16,15,7,13,14,9/E:(1,2)(3,4)(14,15)/rA:16cCCCCCCNCOCCCOO-N+Cl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;d12;s12;s10;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11ClN2O3
All Atoms:27
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:-29.3953
Area:421.001
Solvation:-39.9204
Coulombic:-19.5453
Bond Count [?]
All:16
Single:11
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:242.659
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:-0.04
LogP (Chemaxon):-1.39

Name Annotations

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Descriptor Annotations

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