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Chemical ID: 4934804
Chemical ID:
4934804
Name [?]:
None
SMILES [?]:
CCN(CC)C1=Nc2ccccc2-n3ccnc3C1
InChi [?]:
InChI=1/C15H18N4/c1-3-18(4-2)15-11-14-16-9-10-19(14)13-8-6-5-7-12(13)17-15/h5-10H,3-4,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,10,11,9,12,16,15,19,8,13,18,6,17,7,3,14/E:(1,2)(3,4)/rA:19nCCNCCCNCCCCCCNCCNCC/rB:s1;s2;s3;s4;s3;d6;s7;s8;d9;s10;d11;d8s12;s13;s14;d15;s16;s14d17;s6s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N4 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.38877 |
Area: | 428.336 |
Solvation: | -2.31962 |
Coulombic: | -22.0542 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 254.33 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.37 |
LogP (Chemaxon): | 2.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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