Chemical ID: 4962457

Cc1c(c2ccccc2[nH]1)c3c4ccccc4nc5c3cccc5
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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