Chemical ID: 5016884

CN(C)C(Cc1ccccc1)(c2ccccc2)C(=O)O
Chemical ID:
5016884
Name [?]:
2-dimethylamino-2,3-diphenyl-propanoic acid
SMILES [?]:
CN(C)C(Cc1ccccc1)(c2ccccc2)C(=O)O
InChi [?]:
InChI=1/C17H19NO2/c1-18(2)17(16(19)20,15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12H,13H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,9,15,8,10,14,16,7,11,13,17,5,6,12,18,4,2,19,20/E:(1,2)(5,6)(7,8)(9,10)(11,12)(19,20)/rA:20cCNCCCCCCCCCCCCCCCCOO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s4;s12;d13;s14;d15;d12s16;s4;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19NO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:8.44776
Area:424.682
Solvation:-2.1693
Coulombic:-36.9303
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:269.338
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.98
LogP (Chemaxon):1.05

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