Chemical ID: 3965033

C1CCCN(CC1)c2c(nc(c(n2)N)C(=O)NC(=N)N)Cl
Chemical ID:
3965033
Name [?]:
N-amidino-3-amino-5-azepan-1-yl-6-chloro-pyrazine-2-carboxamide
SMILES [?]:
C1CCCN(CC1)c2c(nc(c(n2)N)C(=O)NC(=N)N)Cl
InChi [?]:
InChI=1/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,7,3,6,4,11,9,12,8,15,18,21,14,19,20,10,13,17,5,16/E:(1,2)(3,4)(5,6)(15,16)/rA:21nCCCCNCCCCNCCNNCONCNNCl/rB:s1;s2;s3;s4;s5;s1s6;s5;s8;d9;s10;d11;d8s12;s12;s11;d15;s15;s17;w18;s18;s9;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18ClN7O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.3486
Area:476.469
Solvation:-2.56312
Coulombic:-85.3186
Bond Count [?]
All:22
Single:17
Double:5
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:311.771
H-Bond Donors:6
H-Bond Acceptors:6
XLogP:2.42
LogP (Chemaxon):2.08

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