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Chemical ID: 7677755
Chemical ID:
7677755
Name [?]:
None
SMILES [?]:
CCn1cc(cn1)c2nc3c4c(ncn3n2)OC5=C(C4c6ccccc6)CCCC5=Cc7ccccc7
InChi [?]:
InChI=1/C30H26N6O/c1-2-35-18-23(17-32-35)28-33-29-26-25(21-12-7-4-8-13-21)24-15-9-14-22(16-20-10-5-3-6-11-20)27(24)37-30(26)31-19-36(29)34-28/h3-8,10-13,16-19,25H,2,9,14-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,35,24,34,36,23,25,28,33,37,22,26,29,27,31,6,4,14,32,21,30,5,19,20,11,18,8,10,12,13,7,9,16,3,15,17/E:(5,6)(7,8)(10,11)(12,13)/rA:37cCCNCCCNCNCCCNCNNOCCCCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;s3d6;s5;s8;d9;s10;d11;s12;d13;s10s14;d8s15;s12;s17;d18;s11s19;s20;s21;d22;s23;d24;d21s25;s19;s27;s28;s18s29;w30;s31;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H26N6O |
All Atoms: | 63 |
Heavy Atoms: | 37 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.7044 |
Area: | 657.644 |
Solvation: | -3.73665 |
Coulombic: | -31.4843 |
Bond Count [?]
All: | 43 |
Single: | 29 |
Double: | 14 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.97 |
LogP (Chemaxon): | None |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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