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Chemical ID: 7656020
Chemical ID:
7656020
Name [?]:
None
SMILES [?]:
CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)CCn4ccc(n4)[N+](=O)[O-]
InChi [?]:
InChI=1/C19H28N4O3/c1-2-16(19-10-13-7-14(11-19)9-15(8-13)12-19)20-18(24)4-6-22-5-3-17(21-22)23(25)26/h3,5,13-16H,2,4,6-12H2,1H3,(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,2,21,17,20,18,7,10,12,9,5,13,8,6,11,3,22,15,4,14,23,19,24,16,25,26/E:(7,8,9)(10,11,12)(13,14,15)(25,26)/CRV:23.5/rA:26cCCCCCCCCCCCCCNCOCCNCCCNN+OO-/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s8;s10;s6s11;s4s11;s3;s14;d15;s15;s17;s18;s19;d20;s21;s19d22;s22;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H28N4O3 |
All Atoms: | 54 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.02309 |
Area: | 565.362 |
Solvation: | -8.11095 |
Coulombic: | -40.6848 |
Bond Count [?]
All: | 29 |
Single: | 25 |
Double: | 4 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.52 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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