ChemDB: Chemical Search
Download
Chemical ID: 3999104
Chemical ID:
3999104
Name [?]:
3-phenyl-2-ureido-propanoic acid
SMILES [?]:
c1ccc(cc1)CC(C(=O)O)NC(=O)N
InChi [?]:
InChI=1/C10H12N2O3/c11-10(15)12-8(9(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14)(H3,11,12,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,7,4,8,9,13,15,12,10,11,14/E:(2,3)(4,5)(13,14)/rA:15cCCCCCCCCCOONCON/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s8;s12;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12N2O3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.59486 |
Area: | 385.601 |
Solvation: | -3.04518 |
Coulombic: | -66.315 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 208.214 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | 0.19 |
LogP (Chemaxon): | 0.71 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|