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Chemical ID: 4262907
Chemical ID:
4262907
Name [?]:
diethyl-[[2-(phenylcarbamoyl)phenyl]carbamoylmethyl]ammonium
SMILES [?]:
CC[NH+](CC)CC(=O)Nc1ccccc1C(=O)Nc2ccccc2
InChi [?]:
InChI=1/C19H23N3O2/c1-3-22(4-2)14-18(23)21-17-13-9-8-12-16(17)19(24)20-15-10-6-5-7-11-15/h5-13H,3-4,14H2,1-2H3,(H,20,24)(H,21,23)/p+1
InChi Info:
AuxInfo=1/1/N:1,5,2,4,22,21,23,13,12,20,24,14,11,6,19,15,10,7,16,18,9,3,8,17/E:(1,2)(3,4)(6,7)(10,11)/rA:24nCCN+CCCCONCCCCCCCONCCCCCC/rB:s1;s2;s3;s4;s3;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24N3O2+ |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -17.0287 |
Area: | 552.45 |
Solvation: | -30.8399 |
Coulombic: | -13.7884 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 326.413 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 3.05 |
LogP (Chemaxon): | 2.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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