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Chemical ID: 4687194
Chemical ID:
4687194
Name [?]:
N-(2-furyl-phenyl-methyl)aniline
SMILES [?]:
c1ccc(cc1)C(c2ccco2)Nc3ccccc3
InChi [?]:
InChI=1/C17H15NO/c1-3-8-14(9-4-1)17(16-12-7-13-19-16)18-15-10-5-2-6-11-15/h1-13,17-18H
InChi Info:
AuxInfo=1/0/N:1,17,2,6,16,18,10,3,5,15,19,9,11,4,14,8,7,13,12/E:(3,4)(5,6)(8,9)(10,11)/rA:19cCCCCCCCCCCCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s8s11;s7;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.34281 |
Area: | 446.934 |
Solvation: | -2.83052 |
Coulombic: | -21.5905 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 249.307 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.65 |
LogP (Chemaxon): | 4.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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