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Chemical ID: 6721383
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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