Chemical ID: 3966451

CN(C)CCC=C1c2ccccc2COc3c1cccc3
Chemical ID:
3966451
Name [?]:
None
SMILES [?]:
CN(C)CCC=C1c2ccccc2COc3c1cccc3
InChi [?]:
InChI=1/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,11,10,19,20,5,12,9,18,6,21,4,14,13,8,7,17,16,2,15/E:(1,2)/rA:21nCNCCCCCCCCCCCCOCCCCCC/rB:s1;s2;s2;s4;s5;w6;s7;s8;d9;s10;d11;d8s12;s13;s14;s15;s7s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21NO
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.45979
Area:473.376
Solvation:-2.3746
Coulombic:-16.4177
Bond Count [?]
All:23
Single:16
Double:7
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:279.376
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.99
LogP (Chemaxon):3.94

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Descriptor Annotations

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