Chemical ID: 4347456

COc1ccccc1C(=O)N2CCc3ccccc3C2
Chemical ID:
4347456
Name [?]:
3,4-dihydro-1H-isoquinolin-2-yl-(2-methoxyphenyl)-methanone
SMILES [?]:
COc1ccccc1C(=O)N2CCc3ccccc3C2
InChi [?]:
InChI=1/C17H17NO2/c1-20-16-9-5-4-8-15(16)17(19)18-11-10-13-6-2-3-7-14(13)12-18/h2-9H,10-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,17,6,5,15,18,7,4,13,12,20,14,19,8,3,9,11,10,2/rA:20nCOCCCCCCCONCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;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:7.32488
Area:446.506
Solvation:-3.83776
Coulombic:-25.7198
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

Name Annotations

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Descriptor Annotations

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