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Chemical ID: 6668469
Chemical ID:
6668469
Name [?]:
2-[(4-chlorophenyl)aminomethyl]-6-methoxy-phenol
SMILES [?]:
COc1cccc(c1O)CNc2ccc(cc2)Cl
InChi [?]:
InChI=1/C14H14ClNO2/c1-18-13-4-2-3-10(14(13)17)9-16-12-7-5-11(15)6-8-12/h2-8,16-17H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,4,14,16,13,17,10,7,15,12,3,8,18,11,9,2/E:(5,6)(7,8)/rA:18nCOCCCCCCOCNCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s7;s10;s11;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14ClNO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.5362 |
Area: | 457.366 |
Solvation: | -3.89794 |
Coulombic: | -36.6869 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 263.719 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.51 |
LogP (Chemaxon): | 3.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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