Chemical ID: 6212652

c1cc(ccc1NC(=O)C(CC(=O)O)N)Cl
Chemical ID:
6212652
Name [?]:
3-amino-4-(4-chlorophenyl)amino-4-oxo-butanoic acid
SMILES [?]:
c1cc(ccc1NC(=O)C(CC(=O)O)N)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:16cCCCCCCNCOCCCOONCl/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:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:7.14918
Area:422.805
Solvation:-3.42094
Coulombic:-57.8503
Bond Count [?]
All:16
Single:11
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:242.659
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:0.44
LogP (Chemaxon):-1.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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