Chemical ID: 5574420

COc1cc2c(c(c1OC)OC)CCNC2
Chemical ID:
5574420
Name [?]:
5,6,7-trimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILES [?]:
COc1cc2c(c(c1OC)OC)CCNC2
InChi [?]:
InChI=1/C12H17NO3/c1-14-10-6-8-7-13-5-4-9(8)11(15-2)12(10)16-3/h6,13H,4-5,7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,10,13,14,4,16,5,6,3,7,8,15,2,11,9/rA:16nCOCCCCCCOCOCCCNC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s6;s13;s14;s5s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17NO3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.07208
Area:384.344
Solvation:-4.53652
Coulombic:-31.0921
Bond Count [?]
All:17
Single:14
Double:3
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:223.268
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.72
LogP (Chemaxon):0.8

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Descriptor Annotations

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