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Chemical ID: 6412494
Chemical ID:
6412494
Name [?]:
N-[(2-hydroxyphenyl)methyleneamino]-1-(4-nitrobenzoyl)-pyrrolidine-2-carboxamide
SMILES [?]:
c1ccc(c(c1)C=NNC(=O)C2CCCN2C(=O)c3ccc(cc3)[N+](=O)[O-])O
InChi [?]:
InChI=1/C19H18N4O5/c24-17-6-2-1-4-14(17)12-20-21-18(25)16-5-3-11-22(16)19(26)13-7-9-15(10-8-13)23(27)28/h1-2,4,6-10,12,16,24H,3,5,11H2,(H,21,25)
InChi Info:
AuxInfo=1/1/N:1,2,14,6,13,3,20,24,21,23,15,7,19,5,22,12,4,10,17,8,9,16,25,28,11,18,26,27/E:(7,8)(9,10)(27,28)/CRV:23.5/rA:28cCCCCCCCNNCOCCCCNCOCCCCCCN+OO-O/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;s12;s13;s14;s12s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;d25;s25;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N4O5 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 3.57363 |
Area: | 589.313 |
Solvation: | -11.1592 |
Coulombic: | -62.7764 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 382.37 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 9 |
XLogP: | 3.28 |
LogP (Chemaxon): | 2.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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