Chemical ID: 4987621

CC(C)(C)C(=O)Nc1ccc(cc1)C(=O)O
Chemical ID:
4987621
Name [?]:
4-(2,2-dimethylpropanoylamino)benzoic acid
SMILES [?]:
CC(C)(C)C(=O)Nc1ccc(cc1)C(=O)O
InChi [?]:
InChI=1/C12H15NO3/c1-12(2,3)11(16)13-9-6-4-8(5-7-9)10(14)15/h4-7H,1-3H3,(H,13,16)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,4,10,12,9,13,11,8,14,5,2,7,15,16,6/E:(1,2,3)(4,5)(6,7)(14,15)/rA:16nCCCCCONCCCCCCCOO/rB:s1;s2;s2;s2;d5;s5;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15NO3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.73876
Area:408.94
Solvation:-2.48474
Coulombic:-48.4959
Bond Count [?]
All:16
Single:11
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:221.252
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.64
LogP (Chemaxon):2.74

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue