Chemical ID: 4769866

c1cc(c(cc1C(F)(F)F)NC(=N)NC(=N)N)Cl
Chemical ID:
4769866
Name [?]:
3-amidino-1-[2-chloro-5-(trifluoromethyl)phenyl]-guanidine
SMILES [?]:
c1cc(c(cc1C(F)(F)F)NC(=N)NC(=N)N)Cl
InChi [?]:
InChI=1/C9H9ClF3N5/c10-5-2-1-4(9(11,12)13)3-6(5)17-8(16)18-7(14)15/h1-3H,(H6,14,15,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,3,4,15,12,7,18,8,9,10,16,17,13,11,14/E:(11,12,13)(14,15)/rA:18nCCCCCCCFFFNCNNCNNCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s7;s7;s4;s11;w12;s12;s14;w15;s15;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9ClF3N5
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.39503
Area:412.281
Solvation:-2.91201
Coulombic:-80.9262
Bond Count [?]
All:18
Single:13
Double:5
Rotors:5
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:279.649
H-Bond Donors:6
H-Bond Acceptors:5
XLogP:3.11
LogP (Chemaxon):3.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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