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Chemical ID: 4908310
Chemical ID:
4908310
Name [?]:
10-methyl-4,10-diazabicyclo[4.3.1]decan-3-one
SMILES [?]:
CN1C2CCCC1CNC(=O)C2
InChi [?]:
InChI=1/C9H16N2O/c1-11-7-3-2-4-8(11)6-10-9(12)5-7/h7-8H,2-6H2,1H3,(H,10,12)
InChi Info:
AuxInfo=1/1/N:1,5,4,6,12,8,3,7,10,9,2,11/rA:12cCNCCCCCCNCOC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;d10;s3s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H16N2O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 5.88826 |
Area: | 302.195 |
Solvation: | -1.66661 |
Coulombic: | -25.1366 |
Bond Count [?]
All: | 13 |
Single: | 12 |
Double: | 1 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 168.236 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.12 |
LogP (Chemaxon): | -0.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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