Chemical ID: 4760193

c1ccc(cc1)C(=O)NC(CO)C(=O)O
Chemical ID:
4760193
Name [?]:
2-benzamido-3-hydroxy-propanoic acid
SMILES [?]:
c1ccc(cc1)C(=O)NC(CO)C(=O)O
InChi [?]:
InChI=1/C10H11NO4/c12-6-8(10(14)15)11-9(13)7-4-2-1-3-5-7/h1-5,8,12H,6H2,(H,11,13)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,11,4,10,7,13,9,12,8,14,15/E:(2,3)(4,5)(14,15)/rA:15cCCCCCCCONCCOCOO/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s10;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11NO4
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:5.63631
Area:385.246
Solvation:-3.99484
Coulombic:-65.8704
Bond Count [?]
All:15
Single:10
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:209.199
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:0.2
LogP (Chemaxon):0.24

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Descriptor Annotations

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