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Chemical ID: 6727723
Chemical ID:
6727723
Name [?]:
4-bromo-2-[(4-ethylphenyl)aminomethyl]phenol
SMILES [?]:
CCc1ccc(cc1)NCc2cc(ccc2O)Br
InChi [?]:
InChI=1/C15H16BrNO/c1-2-11-3-6-14(7-4-11)17-10-12-9-13(16)5-8-15(12)18/h3-9,17-18H,2,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,4,8,14,5,7,15,12,10,3,11,13,6,16,18,9,17/E:(3,4)(6,7)/rA:18nCCCCCCCCNCCCCCCCOBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s13;d14;d11s15;s16;s13;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16BrNO |
All Atoms: | 34 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.64865 |
Area: | 464.475 |
Solvation: | -1.96323 |
Coulombic: | -30.0001 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 306.198 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 4.67 |
LogP (Chemaxon): | 4.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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