Chemical ID: 7452038

c1ccc(cc1)CC(C(=O)NN=CC2=Cc3ccccc3OC2)[NH3+]
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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