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Chemical ID: 3967095
Chemical ID:
3967095
Name [?]:
4-(1-hydroxy-2-isopropylamino-ethyl)benzene-1,2-diol
SMILES [?]:
CC(C)NCC(c1ccc(c(c1)O)O)O
InChi [?]:
InChI=1/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,8,9,12,5,2,7,10,11,6,4,14,13,15/E:(1,2)/rA:15cCCCNCCCCCCCCOOO/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s10;s6;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17NO3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.5477 |
Area: | 407.549 |
Solvation: | -4.64102 |
Coulombic: | -57.3267 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 211.258 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 4 |
XLogP: | 1.43 |
LogP (Chemaxon): | 0.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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