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Chemical ID: 4260504
Chemical ID:
4260504
Name [?]:
10H-acridine-3,6-diamine
SMILES [?]:
c1cc(cc2c1cc3ccc(cc3[nH+]2)N)N
InChi [?]:
InChI=1/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2/p+1
InChi Info:
AuxInfo=1/1/N:1,9,2,10,7,4,12,6,8,3,11,5,13,16,15,14/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:16nCCCCCCCCCCCCCN+NN/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s10;d11;s8s12;s5d13;s11;s3;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H12N3+ |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -21.4559 |
Area: | 376.64 |
Solvation: | -30.8719 |
Coulombic: | -27.8633 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 210.255 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 2 |
XLogP: | 1.42 |
LogP (Chemaxon): | 1.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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