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Chemical ID: 5665701
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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