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Chemical ID: 6444858
Chemical ID:
6444858
Name [?]:
None
SMILES [?]:
c1cc2c(cc1C3CCCCCCCCCCC3)c4c5n2CCNC5CCC4
InChi [?]:
InChI=1/C26H38N2/c1-2-4-6-8-11-20(12-9-7-5-3-1)21-15-16-25-23(19-21)22-13-10-14-24-26(22)28(25)18-17-27-24/h15-16,19-20,24,27H,1-14,17-18H2
InChi Info:
AuxInfo=1/0/N:13,12,14,11,15,10,16,9,17,27,8,18,28,26,1,2,23,22,5,7,6,19,4,25,3,20,24,21/E:(2,3)(4,5)(6,7)(8,9)(11,12)/rA:28cCCCCCCCCCCCCCCCCCCCCNCCNCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s7s17;s4;d19;s3s20;s21;s22;s23;s20s24;s25;s26;s19s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H38N2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.0964 |
Area: | 536.619 |
Solvation: | -1.31906 |
Coulombic: | -18.4879 |
Bond Count [?]
All: | 32 |
Single: | 28 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 378.593 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 7.29 |
LogP (Chemaxon): | 6.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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