Chemical ID: 6167932

COc1ccc(cc1)CNc2ccc(cc2)[N+](=O)[O-]
Chemical ID:
6167932
Name [?]:
N-[(4-methoxyphenyl)methyl]-4-nitro-aniline
SMILES [?]:
COc1ccc(cc1)CNc2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C14H14N2O3/c1-19-14-8-2-11(3-9-14)10-15-12-4-6-13(7-5-12)16(17)18/h2-9,15H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,12,16,13,15,4,8,9,6,11,14,3,10,17,18,19,2/E:(2,3)(4,5)(6,7)(8,9)(17,18)/CRV:16.5/rA:19nCOCCCCCCCNCCCCCCN+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14N2O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:3.50883
Area:463.347
Solvation:-8.07484
Coulombic:-31.6185
Bond Count [?]
All:20
Single:13
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:258.273
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.06
LogP (Chemaxon):3.1

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Descriptor Annotations

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