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Chemical ID: 4536936
Chemical ID:
4536936
Name [?]:
2-azabicyclo[4.3.0]nona-1,3,5-trien-4-ylmethanamine
SMILES [?]:
c1c(cnc2c1CCC2)CN
InChi [?]:
InChI=1/C9H12N2/c10-5-7-4-8-2-1-3-9(8)11-6-7/h4,6H,1-3,5,10H2
InChi Info:
AuxInfo=1/0/N:8,7,9,1,10,3,2,6,5,11,4/rA:11nCCCNCCCCCCN/rB:s1;d2;s3;d4;d1s5;s6;s7;s5s8;s2;s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H12N2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.20803 |
Area: | 310.433 |
Solvation: | -1.55279 |
Coulombic: | -16.5715 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 148.205 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 0.24 |
LogP (Chemaxon): | 0.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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