Chemical ID: 4260679

CCOc1ccc(cc1)N=Nc2ccc(cc2N)[NH3+]
Chemical ID:
4260679
Name [?]:
[3-amino-4-(4-ethoxyphenyl)azo-phenyl]ammonium
SMILES [?]:
CCOc1ccc(cc1)N=Nc2ccc(cc2N)[NH3+]
InChi [?]:
InChI=1/C14H16N4O/c1-2-19-12-6-4-11(5-7-12)17-18-14-8-3-10(15)9-13(14)16/h3-9H,2,15-16H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,2,14,6,8,5,9,13,16,15,7,4,17,12,19,18,10,11,3/E:(4,5)(6,7)/rA:19nCCOCCCCCCNNCCCCCCNN+/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s14;d15;d12s16;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H17N4O+
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-34.0322
Area:442.601
Solvation:-45.0972
Coulombic:20.3242
Bond Count [?]
All:20
Single:13
Double:7
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:257.311
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.84
LogP (Chemaxon):2.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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