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Chemical ID: 6422368
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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