Chemical ID: 6048081

c1ccc2c(c1)cccc2CNC(=N)N
Chemical ID:
6048081
Name [?]:
1-(1-naphthylmethyl)guanidine
SMILES [?]:
c1ccc2c(c1)cccc2CNC(=N)N
InChi [?]:
InChI=1/C12H13N3/c13-12(14)15-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H4,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,9,3,11,5,10,4,13,14,15,12/E:(13,14)/rA:15nCCCCCCCCCCCNCNN/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;s12;w13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13N3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.5921
Area:380.209
Solvation:-1.91313
Coulombic:-41.5044
Bond Count [?]
All:16
Single:10
Double:6
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:199.252
H-Bond Donors:4
H-Bond Acceptors:3
XLogP:2.79
LogP (Chemaxon):2.4

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