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Chemical ID: 7238628
Chemical ID:
7238628
Name [?]:
[1-[(1-carboxy-2-phenyl-ethyl)carbamoyl]-2-(4-hydroxyphenyl)-ethyl]ammonium
SMILES [?]:
c1ccc(cc1)CC(C(=O)O)NC(=O)C(Cc2ccc(cc2)O)[NH3+]
InChi [?]:
InChI=1/C18H20N2O4/c19-15(10-13-6-8-14(21)9-7-13)17(22)20-16(18(23)24)11-12-4-2-1-3-5-12/h1-9,15-16,21H,10-11,19H2,(H,20,22)(H,23,24)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,18,22,19,21,16,7,4,17,20,15,8,13,9,24,12,23,14,10,11/E:(2,3)(4,5)(6,7)(8,9)(23,24)/rA:24cCCCCCCCCCOONCOCCCCCCCCON+/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s8;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s20;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21N2O4+ |
All Atoms: | 45 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -28.2513 |
Area: | 549.278 |
Solvation: | -41.9833 |
Coulombic: | -20.2665 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.52 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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