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Chemical ID: 3965034
Chemical ID:
3965034
Name [?]:
N-amidino-3-amino-6-chloro-5-(ethyl-isopropyl-amino)-pyrazine-2-carboxamide
SMILES [?]:
CCN(c1c(nc(c(n1)N)C(=O)NC(=N)N)Cl)C(C)C
InChi [?]:
InChI=1/C11H18ClN7O/c1-4-19(5(2)3)9-7(12)16-6(8(13)17-9)10(20)18-11(14)15/h5H,4H2,1-3H3,(H2,13,17)(H4,14,15,18,20)
InChi Info:
AuxInfo=1/1/N:1,19,20,2,18,7,5,8,4,11,14,17,10,15,16,6,9,13,3,12/E:(2,3)(14,15)/rA:20nCCNCCNCCNNCONCNNClCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s7;d11;s11;s13;w14;s14;s5;s3;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H18ClN7O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.31014 |
Area: | 476.193 |
Solvation: | -2.59469 |
Coulombic: | -85.1299 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 299.76 |
H-Bond Donors: | 6 |
H-Bond Acceptors: | 6 |
XLogP: | 2.51 |
LogP (Chemaxon): | 2.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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