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Chemical ID: 7085863
Chemical ID:
7085863
Name [?]:
N-(2-furylmethyl)-2-methoxy-aniline
SMILES [?]:
COc1ccccc1NCc2ccco2
InChi [?]:
InChI=1/C12H13NO2/c1-14-12-7-3-2-6-11(12)13-9-10-5-4-8-15-10/h2-8,13H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,13,12,7,4,14,10,11,8,3,9,2,15/rA:15nCOCCCCCCNCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s12;d13;s11s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H13NO2 |
All Atoms: | 28 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.02327 |
Area: | 390.803 |
Solvation: | -3.7468 |
Coulombic: | -26.5707 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 203.237 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.99 |
LogP (Chemaxon): | 2.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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