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Chemical ID: 6653437
Chemical ID:
6653437
Name [?]:
2-amino-2-phenyl-propanoic acid
SMILES [?]:
CC(c1ccccc1)(C(=O)O)N
InChi [?]:
InChI=1/C9H11NO2/c1-9(10,8(11)12)7-5-3-2-4-6-7/h2-6H,10H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,8,3,9,2,12,10,11/E:(3,4)(5,6)(11,12)/rA:12cCCCCCCCCCOON/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;d9;s9;s2;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H11NO2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.17167 |
Area: | 321.799 |
Solvation: | -1.87331 |
Coulombic: | -41.4635 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 165.189 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | -1.26 |
LogP (Chemaxon): | -1.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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