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Chemical ID: 7107555
Chemical ID:
7107555
Name [?]:
2-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methylamino]ethanol
SMILES [?]:
COc1cc(ccc1OCc2ccc(cc2)Cl)CNCCO
InChi [?]:
InChI=1/C17H20ClNO3/c1-21-17-10-14(11-19-8-9-20)4-7-16(17)22-12-13-2-5-15(18)6-3-13/h2-7,10,19-20H,8-9,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,16,6,13,15,7,20,21,4,18,10,11,5,14,8,3,17,19,22,2,9/E:(2,3)(5,6)/rA:22nCOCCCCCCOCCCCCCCClCNCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s5;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20ClNO3 |
All Atoms: | 42 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.4093 |
Area: | 559.232 |
Solvation: | -6.5715 |
Coulombic: | -40.8548 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 321.798 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.72 |
LogP (Chemaxon): | 2.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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