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Chemical ID: 3969778
Chemical ID:
3969778
Name [?]:
3-benzyloxyaniline
SMILES [?]:
c1ccc(cc1)COc2cccc(c2)N
InChi [?]:
InChI=1/C13H13NO/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9H,10,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,3,5,12,10,14,7,4,13,9,15,8/E:(2,3)(5,6)/rA:15nCCCCCCCOCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.34485 |
Area: | 388.083 |
Solvation: | -2.35723 |
Coulombic: | -26.2902 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 199.248 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.83 |
LogP (Chemaxon): | 2.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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