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Chemical ID: 7651618
Chemical ID:
7651618
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CN2CCC(CC2)CCc3c4cc5c(cc4on3)NC(=O)C5
InChi [?]:
InChI=1/C23H25N3O2/c27-23-13-18-12-19-20(25-28-22(19)14-21(18)24-23)7-6-16-8-10-26(11-9-16)15-17-4-2-1-3-5-17/h1-5,12,14,16H,6-11,13,15H2,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,14,15,10,12,9,13,18,28,21,7,11,4,19,17,16,20,22,26,25,24,8,27,23/E:(2,3)(4,5)(8,9)(10,11)/rA:28nCCCCCCCNCCCCCCCCCCCCCCONNCOC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s11;s14;s15;s16;s17;d18;s19;d20;d17s21;s22;d16s23;s20;s25;d26;s19s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25N3O2 |
All Atoms: | 53 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.0848 |
Area: | 609.244 |
Solvation: | -4.14628 |
Coulombic: | -29.4806 |
Bond Count [?]
All: | 32 |
Single: | 24 |
Double: | 8 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.49 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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