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Chemical ID: 4962457
Chemical ID:
4962457
Name [?]:
9-(2-methyl-1H-indol-3-yl)acridine
SMILES [?]:
Cc1c(c2ccccc2[nH]1)c3c4ccccc4nc5c3cccc5
InChi [?]:
InChI=1/C22H16N2/c1-14-21(15-8-2-5-11-18(15)23-14)22-16-9-3-6-12-19(16)24-20-13-7-4-10-17(20)22/h2-13,23H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,14,22,7,15,23,5,13,21,8,16,24,2,4,12,20,9,17,19,3,11,10,18/E:(3,4)(6,7)(9,10)(12,13)(16,17)(19,20)/rA:24nCCCCCCCCCNCCCCCCCNCCCCCC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s3;s11;s12;d13;s14;d15;d12s16;s17;d18;d11s19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16N2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5259 |
Area: | 483.932 |
Solvation: | -1.57241 |
Coulombic: | -19.9859 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 308.376 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.73 |
LogP (Chemaxon): | 5.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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