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Chemical ID: 7655801
Chemical ID:
7655801
Name [?]:
None
SMILES [?]:
CCCCCN(CCCCC)CC(C)NC(=O)CCn1cc(cn1)[N+](=O)[O-]
InChi [?]:
InChI=1/C19H35N5O3/c1-4-6-8-11-22(12-9-7-5-2)15-17(3)21-19(25)10-13-23-16-18(14-20-23)24(26)27/h14,16-17H,4-13,15H2,1-3H3,(H,21,25)
InChi Info:
AuxInfo=1/1/N:1,11,14,2,10,3,9,4,8,18,5,7,19,23,12,21,13,22,16,24,15,6,20,25,17,26,27/E:(1,2)(4,5)(6,7)(8,9)(11,12)(26,27)/CRV:24.5/rA:27cCCCCCNCCCCCCCCNCOCCNCCCNN+OO-/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s6;s12;s13;s13;s15;d16;s16;s18;s19;s20;d21;s22;s20d23;s22;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H35N5O3 |
All Atoms: | 62 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.55066 |
Area: | 698.901 |
Solvation: | -7.92188 |
Coulombic: | -43.3958 |
Bond Count [?]
All: | 27 |
Single: | 23 |
Double: | 4 |
Rotors: | 16 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.17 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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