Chemical ID: 5756326

COc1cccc(c1O)CNc2ccc(c(c2)[N+](=O)[O-])F
Chemical ID:
5756326
Name [?]:
2-[(4-fluoro-3-nitro-phenyl)aminomethyl]-6-methoxy-phenol
SMILES [?]:
COc1cccc(c1O)CNc2ccc(c(c2)[N+](=O)[O-])F
InChi [?]:
InChI=1/C14H13FN2O4/c1-21-13-4-2-3-9(14(13)18)8-16-10-5-6-11(15)12(7-10)17(19)20/h2-7,16,18H,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,4,13,14,17,10,7,12,15,16,3,8,21,11,18,9,19,20,2/E:(19,20)/CRV:17.5/rA:21nCOCCCCCCOCNCCCCCCN+OO-F/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s7;s10;s11;s12;d13;s14;d15;d12s16;s16;d18;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13FN2O4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:0.460747
Area:475.817
Solvation:-11.4347
Coulombic:-48.4692
Bond Count [?]
All:22
Single:15
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:292.263
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.82
LogP (Chemaxon):2.95

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Descriptor Annotations

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