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Chemical ID: 4465689
Chemical ID:
4465689
Name [?]:
None
SMILES [?]:
Cc1nnc2n1c3ccccc3nc2NC4CCCC4
InChi [?]:
InChI=1/C15H17N5/c1-10-18-19-15-14(16-11-6-2-3-7-11)17-12-8-4-5-9-13(12)20(10)15/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,18,19,10,9,17,20,11,8,2,16,12,7,14,5,15,13,3,4,6/E:(2,3)(6,7)/rA:20nCCNNCNCCCCCCNCNCCCCC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s12;s5d13;s14;s15;s16;s17;s18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17N5 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.57621 |
Area: | 446.439 |
Solvation: | -1.58476 |
Coulombic: | -30.1784 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 267.329 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.73 |
LogP (Chemaxon): | 2.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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