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Chemical ID: 4902276
Chemical ID:
4902276
Name [?]:
None
SMILES [?]:
CCN(CC)CCNc1c(c2c(cn1)Cc3ccccc3N2)C#N
InChi [?]:
InChI=1/C19H23N5/c1-3-24(4-2)10-9-21-19-16(12-20)18-15(13-22-19)11-14-7-5-6-8-17(14)23-18/h5-8,13,23H,3-4,9-11H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,18,19,17,20,7,6,15,23,13,16,12,10,21,11,9,24,8,14,22,3/E:(1,2)(3,4)/rA:24nCCNCCCCNCCCCCNCCCCCCCNCN/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;s16;d17;s18;d19;d16s20;s11s21;s10;t23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23N5 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6958 |
Area: | 560.506 |
Solvation: | -2.31689 |
Coulombic: | -37.2185 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 321.42 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.32 |
LogP (Chemaxon): | 2.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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