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Chemical ID: 5189858
Chemical ID:
5189858
Name [?]:
2-methyl-6-phenylimino-pyran-4-ol
SMILES [?]:
Cc1cc(cc(=Nc2ccccc2)o1)O
InChi [?]:
InChI=1/C12H11NO2/c1-9-7-11(14)8-12(15-9)13-10-5-3-2-4-6-10/h2-8,14H,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,12,9,13,3,5,2,8,4,6,7,15,14/E:(3,4)(5,6)/rA:15nCCCCCCNCCCCCCOO/rB:s1;d2;s3;d4;s5;w6;s7;s8;d9;s10;d11;d8s12;s2s6;s4;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.71778 |
Area: | 380.564 |
Solvation: | -2.79631 |
Coulombic: | -29.6559 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 201.221 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.23 |
LogP (Chemaxon): | 2.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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