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Chemical ID: 4942035
Chemical ID:
4942035
Name [?]:
None
SMILES [?]:
Cc1c2ccncc2c(c3c1n(c4c3cccc4)CCCCC=C)C
InChi [?]:
InChI=1/C23H24N2/c1-4-5-6-9-14-25-21-11-8-7-10-19(21)22-16(2)20-15-24-13-12-18(20)17(3)23(22)25/h4,7-8,10-13,15H,1,5-6,9,14H2,2-3H3
InChi Info:
AuxInfo=1/0/N:24,25,1,23,22,21,16,17,20,15,18,4,5,19,7,9,2,3,14,8,13,10,11,6,12/rA:25nCCCCCNCCCCCNCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;d2s10;s11;s12;s10s13;d14;s15;d16;d13s17;s12;s19;s20;s21;s22;d23;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24N2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5447 |
Area: | 542.343 |
Solvation: | -2.01387 |
Coulombic: | -14.2735 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 328.45 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 6.63 |
LogP (Chemaxon): | 6.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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