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Chemical ID: 4244847
Chemical ID:
4244847
Name [?]:
2-[(3,4-dimethoxyphenyl)methylamino]phenol
SMILES [?]:
COc1ccc(cc1OC)CNc2ccccc2O
InChi [?]:
InChI=1/C15H17NO3/c1-18-14-8-7-11(9-15(14)19-2)10-16-12-5-3-4-6-13(12)17/h3-9,16-17H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,15,16,14,17,5,4,7,11,6,13,18,3,8,12,19,2,9/rA:19nCOCCCCCCOCCNCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17NO3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.04945 |
Area: | 463.741 |
Solvation: | -5.54408 |
Coulombic: | -43.2468 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 259.3 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.96 |
LogP (Chemaxon): | 2.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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