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Chemical ID: 4994318
Chemical ID:
4994318
Name [?]:
1-cyclohexylaziridine-2-carboxamide
SMILES [?]:
C1CCC(CC1)N2CC2C(=O)N
InChi [?]:
InChI=1/C9H16N2O/c10-9(12)8-6-11(8)7-4-2-1-3-5-7/h7-8H,1-6H2,(H2,10,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,8,4,9,10,12,7,11/E:(2,3)(4,5)/rA:12cCCCCCCNCCCON/rB:s1;s2;s3;s4;s1s5;s4;s7;s7s8;s9;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H16N2O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 5.96341 |
Area: | 321.297 |
Solvation: | -2.06902 |
Coulombic: | -30.6572 |
Bond Count [?]
All: | 13 |
Single: | 12 |
Double: | 1 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 168.236 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 0.44 |
LogP (Chemaxon): | 0.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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