Chemical ID: 4999406

CN(C)CCC(=O)c1ccc(c(c1)OC)O
Chemical ID:
4999406
Name [?]:
3-dimethylamino-1-(4-hydroxy-3-methoxy-phenyl)-propan-1-one
SMILES [?]:
CN(C)CCC(=O)c1ccc(c(c1)OC)O
InChi [?]:
InChI=1/C12H17NO3/c1-13(2)7-6-10(14)9-4-5-11(15)12(8-9)16-3/h4-5,8,15H,6-7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,15,9,10,5,4,13,8,6,11,12,2,7,16,14/E:(1,2)/rA:16nCNCCCCOCCCCCCOCO/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s12;s14;s11;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17NO3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.15361
Area:422.095
Solvation:-4.39877
Coulombic:-35.6043
Bond Count [?]
All:16
Single:12
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:223.268
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.05
LogP (Chemaxon):0.56

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Descriptor Annotations

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