Chemical ID: 4950501

c1cc(cc(c1)N=Nc2ccc(cc2N)N)N
Chemical ID:
4950501
Name [?]:
4-(3-aminophenyl)azobenzene-1,3-diamine
SMILES [?]:
c1cc(cc(c1)N=Nc2ccc(cc2N)N)N
InChi [?]:
InChI=1/C12H13N5/c13-8-2-1-3-10(6-8)16-17-12-5-4-9(14)7-11(12)15/h1-7H,13-15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,10,4,13,3,12,5,14,9,17,16,15,7,8/rA:17nCCCCCCNNCCCCCCNNN/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s11;d12;d9s13;s14;s12;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13N5
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.72477
Area:388.822
Solvation:-1.99579
Coulombic:-53.5575
Bond Count [?]
All:18
Single:11
Double:7
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:227.265
H-Bond Donors:6
H-Bond Acceptors:5
XLogP:0.84
LogP (Chemaxon):2.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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