Chemical ID: 6422368

c1cc(ccc1NN=C(C#N)C(=O)NN)Br
Chemical ID:
6422368
Name [?]:
2-(4-bromophenyl)aminoimino-3-nitrido-propanehydrazide
SMILES [?]:
c1cc(ccc1NN=C(C#N)C(=O)NN)Br
InChi [?]:
InChI=1/C9H8BrN5O/c10-6-1-3-7(4-2-6)14-15-8(5-11)9(16)13-12/h1-4,14H,12H2,(H,13,16)
InChi Info:
AuxInfo=1/1/N:2,4,1,5,10,3,6,9,12,16,11,15,14,7,8,13/E:(1,2)(3,4)/rA:16nCCCCCCNNCCNCONNBr/rB:s1;d2;s3;d4;d1s5;s6;s7;w8;s9;t10;s9;d12;s12;s14;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8BrN5O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.03014
Area:430.526
Solvation:-2.73301
Coulombic:-43.118
Bond Count [?]
All:16
Single:10
Double:5
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:282.097
H-Bond Donors:4
H-Bond Acceptors:6
XLogP:2.47
LogP (Chemaxon):2.57

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