Chemical ID: 5135097

c1cc(ccc1CON)CON
Chemical ID:
5135097
Name [?]:
1,4-bis(aminooxymethyl)benzene
SMILES [?]:
c1cc(ccc1CON)CON
InChi [?]:
InChI=1/C8H12N2O2/c9-11-5-7-1-2-8(4-3-7)6-12-10/h1-4H,5-6,9-10H2
InChi Info:
AuxInfo=1/0/N:1,2,5,4,7,10,6,3,9,12,8,11/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)/rA:12nCCCCCCCONCON/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s3;s10;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H12N2O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:4.86093
Area:354.63
Solvation:-4.00481
Coulombic:-25.3802
Bond Count [?]
All:12
Single:9
Double:3
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:168.193
H-Bond Donors:4
H-Bond Acceptors:4
XLogP:-0.62
LogP (Chemaxon):1.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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