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Chemical ID: 4259348
Chemical ID:
4259348
Name [?]:
[4-[bis(4-aminophenyl)methylene]-1-cyclohexa-2,5-dienylidene]ammonium
SMILES [?]:
c1cc(ccc1C(=C2C=CC(=[NH2+])C=C2)c3ccc(cc3)N)N
InChi [?]:
InChI=1/C19H17N3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,20H,21-22H2/p+1
InChi Info:
AuxInfo=1/1/N:9,14,1,5,16,20,10,13,2,4,17,19,8,6,15,11,3,18,7,12,22,21/E:(1,2)(3,4,5,6)(7,8)(9,10,11,12)(14,15)(17,18)(21,22)/rA:22nCCCCCCCCCCCN+CCCCCCCCNN/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s10;d11;s11;s8d13;s7;s15;d16;s17;d18;d15s19;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N3+ |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -27.4362 |
Area: | 495.271 |
Solvation: | -39.8179 |
Coulombic: | -35.2058 |
Bond Count [?]
All: | 24 |
Single: | 14 |
Double: | 10 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 288.366 |
H-Bond Donors: | 6 |
H-Bond Acceptors: | 3 |
XLogP: | 2.38 |
LogP (Chemaxon): | 3.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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