Chemical ID: 5665701

c1ccc2c(c1)C[NH+]3CCCC3=N2
Chemical ID:
5665701
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C[NH+]3CCCC3=N2
InChi [?]:
InChI=1/C11H12N2/c1-2-5-10-9(4-1)8-13-7-3-6-11(13)12-10/h1-2,4-5H,3,6-8H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,10,6,3,11,9,7,5,4,12,13,8/rA:13cCCCCCCCN+CCCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s8s11;s4d12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13N2+
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:-22.2188
Area:325.229
Solvation:-30.3496
Coulombic:26.4981
Bond Count [?]
All:15
Single:11
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:173.234
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.86
LogP (Chemaxon):2.31

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Descriptor Annotations

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