Chemical ID: 6322888

COc1cccc(c1)C(=O)N2CCc3ccccc3C2
Chemical ID:
6322888
Name [?]:
3,4-dihydro-1H-isoquinolin-2-yl-(3-methoxyphenyl)-methanone
SMILES [?]:
COc1cccc(c1)C(=O)N2CCc3ccccc3C2
InChi [?]:
InChI=1/C17H17NO2/c1-20-16-8-4-7-14(11-16)17(19)18-10-9-13-5-2-3-6-15(13)12-18/h2-8,11H,9-10,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,17,5,15,18,6,4,13,12,8,20,14,7,19,3,9,11,10,2/rA:20nCOCCCCCCCONCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;s12;s13;s14;d15;s16;d17;d14s18;s11s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17NO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.97561
Area:451.282
Solvation:-3.30644
Coulombic:-25.9996
Bond Count [?]
All:22
Single:15
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:267.322
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.04
LogP (Chemaxon):2.7

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