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Chemical ID: 4088506
Chemical ID:
4088506
Name [?]:
2-amino-3-(5-hydroxy-1H-indol-3-yl)-propanoic acid
SMILES [?]:
c1cc2c(cc1O)c(c[nH]2)CC(C(=O)O)N
InChi [?]:
InChI=1/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,11,5,9,8,6,4,12,3,13,16,10,7,14,15/E:(15,16)/rA:16cCCCCCCOCCNCCCOON/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s3s9;s8;s11;s12;d13;s13;s12;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12N2O3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.49392 |
Area: | 394.646 |
Solvation: | -3.37224 |
Coulombic: | -65.0238 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 220.225 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 4 |
XLogP: | -1.71 |
LogP (Chemaxon): | -1.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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