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Chemical ID: 6047770
Chemical ID:
6047770
Name [?]:
2-amino-3,3-diphenyl-propanoic acid
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)C(C(=O)O)N
InChi [?]:
InChI=1/C15H15NO2/c16-14(15(17)18)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H,16H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,11,2,6,10,12,3,5,9,13,4,8,7,14,15,18,16,17/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(17,18)/rA:18cCCCCCCCCCCCCCCCOON/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;s14;d15;s15;s14;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15NO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.82812 |
Area: | 399.938 |
Solvation: | -2.17033 |
Coulombic: | -42.5738 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 241.285 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 0.11 |
LogP (Chemaxon): | 0.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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