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Chemical ID: 4936408
Chemical ID:
4936408
Name [?]:
3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILES [?]:
CN1CN(C2(C1=O)CCNCC2)c3ccccc3
InChi [?]:
InChI=1/C14H19N3O/c1-16-11-17(12-5-3-2-4-6-12)14(13(16)18)7-9-15-10-8-14/h2-6,15H,7-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,14,18,8,12,9,11,3,13,6,5,10,2,4,7/E:(3,4)(5,6)(7,8)(9,10)/rA:18cCNCNCCOCCNCCCCCCCC/rB:s1;s2;s3;s4;s2s5;d6;s5;s8;s9;s10;s5s11;s4;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19N3O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.63156 |
Area: | 399.293 |
Solvation: | -2.35078 |
Coulombic: | -33.5399 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 245.32 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.38 |
LogP (Chemaxon): | 1.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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