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Chemical ID: 4715555
Chemical ID:
4715555
Name [?]:
9-phenyl-7-oxa-10-azabicyclo[4.4.0]deca-2,4,9,11-tetraene
SMILES [?]:
c1ccc(cc1)C2=Nc3ccccc3OC2
InChi [?]:
InChI=1/C14H11NO/c1-2-6-11(7-3-1)13-10-16-14-9-5-4-8-12(14)15-13/h1-9H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,12,3,5,10,13,16,4,9,7,14,8,15/E:(2,3)(6,7)/rA:16nCCCCCCCNCCCCCCOC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;d10;s11;d12;d9s13;s14;s7s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.44248 |
Area: | 381.008 |
Solvation: | -2.08273 |
Coulombic: | -16.2885 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 209.243 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.9 |
LogP (Chemaxon): | 3.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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