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Chemical ID: 4683523
Chemical ID:
4683523
Name [?]:
None
SMILES [?]:
c1ccc-2c(c1)CCc3c2cn[nH]3
InChi [?]:
InChI=1/C11H10N2/c1-2-4-9-8(3-1)5-6-11-10(9)7-12-13-11/h1-4,7H,5-6H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,8,11,5,4,10,9,12,13/rA:13nCCCCCCCCCCCNN/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4d9;s10;d11;s9s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10N2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.36906 |
Area: | 321.407 |
Solvation: | -1.66612 |
Coulombic: | -9.93295 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 170.211 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.56 |
LogP (Chemaxon): | 2.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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