Chemical ID: 6633499

c1cc(ccc1C(=O)NC(CO)C(=O)O)Cl
Chemical ID:
6633499
Name [?]:
2-(4-chlorobenzoyl)amino-3-hydroxy-propanoic acid
SMILES [?]:
c1cc(ccc1C(=O)NC(CO)C(=O)O)Cl
InChi [?]:
InChI=1/C10H10ClNO4/c11-7-3-1-6(2-4-7)9(14)12-8(5-13)10(15)16/h1-4,8,13H,5H2,(H,12,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,11,6,3,10,7,13,16,9,12,8,14,15/E:(1,2)(3,4)(15,16)/rA:16cCCCCCCCONCCOCOOCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s10;d13;s13;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10ClNO4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:7.06266
Area:422.963
Solvation:-3.5114
Coulombic:-66.3689
Bond Count [?]
All:16
Single:11
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:243.643
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:0.83
LogP (Chemaxon):0.76

Name Annotations

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Descriptor Annotations

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