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Chemical ID: 4183046
Chemical ID:
4183046
Name [?]:
N-[(4-methoxy-1-naphthyl)methyl]aniline
SMILES [?]:
COc1ccc(c2c1cccc2)CNc3ccccc3
InChi [?]:
InChI=1/C18H17NO/c1-20-18-12-11-14(16-9-5-6-10-17(16)18)13-19-15-7-3-2-4-8-15/h2-12,19H,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,17,19,11,10,16,20,12,9,5,4,13,6,15,7,8,3,14,2/E:(3,4)(7,8)/rA:20nCOCCCCCCCCCCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s10;s7d11;s6;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.0131 |
Area: | 464.104 |
Solvation: | -2.58949 |
Coulombic: | -22.4011 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 263.334 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.56 |
LogP (Chemaxon): | 4.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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