Chemical ID: 4451138

COc1ccc(c(c1)O)CNc2ccc(cn2)Br
Chemical ID:
4451138
Name [?]:
2-[(5-bromo-2-pyridyl)aminomethyl]-5-methoxy-phenol
SMILES [?]:
COc1ccc(c(c1)O)CNc2ccc(cn2)Br
InChi [?]:
InChI=1/C13H13BrN2O2/c1-18-11-4-2-9(12(17)6-11)7-15-13-5-3-10(14)8-16-13/h2-6,8,17H,7H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,5,14,4,13,8,10,16,6,15,3,7,12,18,11,17,9,2/rA:18nCOCCCCCCOCNCCCCCNBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s6;s10;s11;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13BrN2O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.26692
Area:453.573
Solvation:-4.07241
Coulombic:-39.7569
Bond Count [?]
All:19
Single:13
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:309.159
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.16
LogP (Chemaxon):3.04

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