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Chemical ID: 3885189
Chemical ID:
3885189
Name [?]:
(8-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl)-morpholino-methanone
SMILES [?]:
Cc1c(n2ccccc2n1)C(=O)N3CCOCC3
InChi [?]:
InChI=1/C13H15N3O2/c1-10-12(13(17)15-6-8-18-9-7-15)16-5-3-2-4-11(16)14-10/h2-5H,6-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,5,14,18,15,17,2,9,3,11,10,13,4,12,16/E:(6,7)(8,9)/rA:18nCCCNCCCCCNCONCCOCC/rB:s1;d2;s3;s4;d5;s6;d7;s4s8;s2d9;s3;d11;s11;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15N3O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.81995 |
Area: | 408.299 |
Solvation: | -3.38752 |
Coulombic: | -36.6611 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 245.277 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 0.39 |
LogP (Chemaxon): | 0.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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