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Chemical ID: 4643287
Chemical ID:
4643287
Name [?]:
None
SMILES [?]:
Cc1nnc2n1c3ccccc3nc2N4CCCCC4
InChi [?]:
InChI=1/C15H17N5/c1-11-17-18-15-14(19-9-5-2-6-10-19)16-12-7-3-4-8-13(12)20(11)15/h3-4,7-8H,2,5-6,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,10,9,17,19,11,8,16,20,2,12,7,14,5,13,3,4,15,6/E:(5,6)(9,10)/rA:20nCCNNCNCCCCCCNCNCCCCC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s12;s5d13;s14;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17N5 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.91588 |
Area: | 430.249 |
Solvation: | -1.84035 |
Coulombic: | -24.9662 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 267.329 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.9 |
LogP (Chemaxon): | 2.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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