Chemical ID: 4259348

c1cc(ccc1C(=C2C=CC(=[NH2+])C=C2)c3ccc(cc3)N)N
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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Descriptor Annotations

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