Chemical ID: 5231518

COc1cc2c(cc1OC)-c3cccc4c3N(CC4)CC2
Chemical ID:
5231518
Name [?]:
None
SMILES [?]:
COc1cc2c(cc1OC)-c3cccc4c3N(CC4)CC2
InChi [?]:
InChI=1/C18H19NO2/c1-20-16-10-13-7-9-19-8-6-12-4-3-5-14(18(12)19)15(13)11-17(16)21-2/h3-5,10-11H,6-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,13,14,12,19,21,18,20,4,7,15,5,11,6,3,8,16,17,2,9/rA:21cCOCCCCCCOCCCCCCCNCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s13;d14;d11s15;s16;s17;s15s18;s17;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19NO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:6.26431
Area:443.93
Solvation:-4.83393
Coulombic:-20.8178
Bond Count [?]
All:24
Single:18
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:281.349
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.42
LogP (Chemaxon):3.45

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Descriptor Annotations

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