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Chemical ID: 5300815
Chemical ID:
5300815
Name [?]:
None
SMILES [?]:
CC1(Cc2c(c3nncn3c(n2)c4ccccc4)CO1)C
InChi [?]:
InChI=1/C16H16N4O/c1-16(2)8-13-12(9-21-16)15-19-17-10-20(15)14(18-13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,16,15,17,14,18,3,19,9,13,5,4,11,6,2,8,12,7,10,20/E:(1,2)(4,5)(6,7)/rA:21nCCCCCCNNCNCNCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;s7;d8;s6s9;s10;s4d11;s11;s13;d14;s15;d16;d13s17;s5;s2s19;s2;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16N4O |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.36472 |
Area: | 447.954 |
Solvation: | -2.83414 |
Coulombic: | -24.4549 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 280.325 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.53 |
LogP (Chemaxon): | 1.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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