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Chemical ID: 4278346
Chemical ID:
4278346
Name [?]:
None
SMILES [?]:
CCN1CCc2c(c3ccccc3[nH]2)C1
InChi [?]:
InChI=1/C13H16N2/c1-2-15-8-7-13-11(9-15)10-5-3-4-6-12(10)14-13/h3-6,14H,2,7-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,11,9,12,5,4,15,8,7,13,6,14,3/rA:15cCCNCCCCCCCCCCNC/rB:s1;s2;s3;s4;s5;d6;s7;s8;d9;s10;d11;d8s12;s6s13;s3s7;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16N2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.73454 |
Area: | 367.916 |
Solvation: | -1.46335 |
Coulombic: | -16.5084 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 200.28 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.12 |
LogP (Chemaxon): | 2.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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