Chemical ID: 4692984

Cc1ccccc1CN2c3ccccc3CCCC2=O
Chemical ID:
4692984
Name [?]:
2-(o-tolylmethyl)-2-azabicyclo[5.4.0]undeca-8,10,12-trien-3-one
SMILES [?]:
Cc1ccccc1CN2c3ccccc3CCCC2=O
InChi [?]:
InChI=1/C18H19NO/c1-14-7-2-3-9-16(14)13-19-17-11-5-4-8-15(17)10-6-12-18(19)20/h2-5,7-9,11H,6,10,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,13,12,17,3,14,6,16,11,18,8,2,15,7,10,19,9,20/rA:20nCCCCCCCCNCCCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s17;s9s18;d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19NO
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.71279
Area:423.266
Solvation:-1.86886
Coulombic:-17.9498
Bond Count [?]
All:22
Single:15
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:265.35
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.6
LogP (Chemaxon):3.98

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