Chemical ID: 6721383

Cc1ccccc1CN2c3ccccc3OCC2=O
Chemical ID:
6721383
Name [?]:
10-(o-tolylmethyl)-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-9-one
SMILES [?]:
Cc1ccccc1CN2c3ccccc3OCC2=O
InChi [?]:
InChI=1/C16H15NO2/c1-12-6-2-3-7-13(12)10-17-14-8-4-5-9-15(14)19-11-16(17)18/h2-9H,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,12,13,3,6,11,14,8,17,2,7,10,15,18,9,19,16/rA:19nCCCCCCCCNCCCCCCOCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s9s17;d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15NO2
All Atoms:34
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.97983
Area:424.609
Solvation:-2.63541
Coulombic:-27.0255
Bond Count [?]
All:21
Single:14
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:253.296
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.94
LogP (Chemaxon):2.84

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