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Chemical ID: 7633157
Chemical ID:
7633157
Name [?]:
None
SMILES [?]:
CN(C)CCn1c2ccccc2c3c1nc4ccccc4n3
InChi [?]:
InChI=1/C18H18N4/c1-21(2)11-12-22-16-10-6-3-7-13(16)17-18(22)20-15-9-5-4-8-14(15)19-17/h3-10H,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,10,19,18,9,11,20,17,8,4,5,12,21,16,7,13,14,22,15,2,6/E:(1,2)/rA:22nCNCCCNCCCCCCCCNCCCCCCN/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s6s13;d14;s15;s16;d17;s18;d19;d16s20;d13s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18N4 |
All Atoms: | 40 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.2341 |
Area: | 484.939 |
Solvation: | -1.88943 |
Coulombic: | -25.7616 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.93 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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