Chemical ID: 4777575

c1cc(ccc1CCNC(=N)N[N+](=O)[O-])Cl
Chemical ID:
4777575
Name [?]:
1-[2-(4-chlorophenyl)ethyl]-3-nitro-guanidine
SMILES [?]:
c1cc(ccc1CCNC(=N)N[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C9H11ClN4O2/c10-8-3-1-7(2-4-8)5-6-12-9(11)13-14(15)16/h1-4H,5-6H2,(H3,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,7,8,6,3,10,16,11,9,12,13,14,15/E:(1,2)(3,4)(15,16)/CRV:14.5/rA:16nCCCCCCCCNCNNN+OO-Cl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;w10;s10;s12;d13;s13;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11ClN4O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:4.5754
Area:439.227
Solvation:-6.40528
Coulombic:-42.9667
Bond Count [?]
All:16
Single:11
Double:5
Rotors:6
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:242.662
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:3.22
LogP (Chemaxon):1.12

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