Chemical ID: 3967095

CC(C)NCC(c1ccc(c(c1)O)O)O
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

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Descriptor Annotations

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