Chemical ID: 6668469

COc1cccc(c1O)CNc2ccc(cc2)Cl
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

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Descriptor Annotations

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