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Chemical ID: 7452038
Chemical ID:
7452038
Name [?]:
[1-(2H-chromen-3-ylmethyleneaminocarbamoyl)-2-phenyl-ethyl]ammonium
SMILES [?]:
c1ccc(cc1)CC(C(=O)NN=CC2=Cc3ccccc3OC2)[NH3+]
InChi [?]:
InChI=1/C19H19N3O2/c20-17(11-14-6-2-1-3-7-14)19(23)22-21-12-15-10-16-8-4-5-9-18(16)24-13-15/h1-10,12,17H,11,13,20H2,(H,22,23)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,18,19,3,5,17,20,15,7,13,23,4,14,16,8,21,9,24,12,11,10,22/E:(2,3)(6,7)/rA:24cCCCCCCCCCONNCCCCCCCCCOCN+/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;w12;s13;d14;s15;s16;d17;s18;d19;d16s20;s21;s14s22;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20N3O2+ |
All Atoms: | 44 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -28.2089 |
Area: | 555.766 |
Solvation: | -42.1031 |
Coulombic: | 17.1764 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.94 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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